trichloromethane

• ChemBase ID: 105710
• Molecular Formular: CHCl3
• Molecular Mass: 119.37764
• Monoisotopic Mass: 117.91438307
• SMILES: ClC(Cl)Cl
• Canonical SMILES: ClC(Cl)Cl
• InChI: InChI=1S/CHCl3/c2-1(3)4/h1H
• InChIKey: HEDRZPFGACZZDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloromethane
• IUPAC Systematic name: Trichloromethane
• IUPAC Traditional name: chloroform
• Synonyms: Chloroform, Environmental Grade; Chloroform, ACS; Chloroform, HPLC Grade; Chloroform, Spectrophotometric Grade; Chloroform solution; Methyl trichloride; TCe; Freon 20, R-20, UN 1888; Methylidyne trichloride; Chloroform; CHLOROFORM WITH AMYLENE, ABSOLV GRADE; CHLOROFORM With Amylene; CHLOROFORM WITH ETHANOL, ACS GRADE; CHLOROFORM With Ethanol; CHLOROFORM WITH ETHANOL, ANHYDROSOLV GRADE; CHLOROFORM WITH AMYLENE, ANHYDROSOLV GRADE; CHLOROFORM WITH AMYLENE, HPLC/SPECTRO GRADE; CHLOROFORM WITH ETHANOL, GC GRADE; CHLOROFORM WITH ETHANOL, HPLC/SPECTRO GRADE; Formyl trichloride; Methane trichloride; Methenyl trichloride; NCI-C02686; RCRA Waste Number U044; TCM; Trichloroform; Trichloromethane; CHLOROFORM ACS REAGENT GRADE; CHLOROFORM; 氯仿, 环境级; 氯仿, ACS; 氯仿, HPLC级; 氯仿, 光谱级; 氯仿 溶液; 氯仿溶液; 三氯甲烷; 氯仿; 氯仿 溶液

Database IDs

• CAS Number: 67-66-3
• EC Number: 200-659-6; 200-663-8
• MDL Number: MFCD00000826
• Beilstein Number: 1731042
• Merck Index: 142141
• PubChem SID: 24883756; 24882099; 24865953; 24870802; 24882073; 24882071; 24868064; 24872695; 24882116; 24872163; 24855560; 24882107; 24855558; 24871551; 24882074; 162093818; 24870801; 24855545; 24883757; 24882075; 24864904; 24862725; 24859295; 24872249; 24861582; 24872248; 24854536; 24892970; 24855547; 24867327; 24859342; 24882115; 24872302; 24859205; 24863186; 24848086; 24885341; 24892487; 24857331; 24845306; 24862727
• PubChem CID: 6212
• CHEBI ID: 35255
• ATC CODE: N01AB02
• CHEMBL: 44618
• Chemspider ID: 5977
• KEGG ID: C13827
• Unique Ingredient Identifier: 7V31YC746X
• Wikipedia Title: Chloroform

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8253005
• LogD (pH = 7.4): 1.8253005
• Log P: 1.8253005
• Molar Refractivity: 21.3673 cm^3
• Polarizability: 8.372397 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.8 g/100 mL (20 °C) in water
• Apperance: APHA: ≤10; Colorless liquid; Liquid
• Melting Point: -63 °C(lit.); -63.5 °C; -63.5°C; -63°C
• Boiling Point: 60.5 - 61.2 °C; 60.5-61.5 °C; 60.5-61.5 °C(lit.); 60.5-61.5°C; 60-62 °C; 61 °C; 61.2°C
• Flash Point: >110 °C; >230 °F; 1 °F; 1.4 °F; 11 °C; -17 °C; -19 °C; -2.2 °F; 20 °C; 230 °F; 51.8 °F; 68 °F; Non-flammable
• Auto Ignition Point: Above 1000 °C
• Density: 1.476 - 1.478 g/cm^3 at 20 °C; 1.476-1.483 g/mL at 20 °C; 1.479-1.489 g/mL at 20 °C; 1.48 g/mL at 25 °C; 1.48 g/mL at 25 °C (represents the value for the density of chloroform with ethanol stabilizer); 1.483 g/cm^3; 1.492; 1.492 g/mL at 25 °C; 1.492 g/mL at 25 °C(lit.)
• Refractive Index: 1.4440; 1.4459; 1.4460; n20/D 1.444-1.446; n20/D 1.445; n20/D 1.445(lit.); n20/D 1.446
• Vapor Pressure: 160 mmHg ( 20 °C); 211 hPa at 20 °C
• Vapor Density: 4.1 (vs air); 4.36 (air = 1)
• Absorption Wavelength: λ: 245 nm Amax: 1.00; λ: 250 nm Amax: ≤1.00; λ: 250 nm Amax: 0.30; λ: 250 nm Amax: 0.4; λ: 255 nm Amax: 0.15; λ: 255 nm Amax: 0.25; λ: 260 nm Amax: ≤0.30; λ: 260 nm Amax: 0.05; λ: 260 nm Amax: 0.15; λ: 270 nm Amax: 0.006; λ: 270 nm Amax: 0.02; λ: 270 nm Amax: 0.05; λ: 275-400 nm Amax: 0.005; λ: 280 nm Amax: ≤0.005; λ: 280 nm Amax: 0.003; λ: 290 nm Amax: 0.01; λ: 290-400 nm Amax: 0.01; λ: 400 nm Amax: 0.01
• pH: 5.2-6.4
• Transmittance: 250 nm, ≥50%; 260 nm, ≥85%; 260 nm, ≥90%; 275 nm, ≥98%; 280 nm, ≥99%

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• RTECS: FS9100000
• European Hazard Symbols: Flammable (F); Toxic (T); X; Irritant (Xi); Harmful (Xn)
• UN Number: 1090; 1230; 1888; UN1888
• German water hazard class: 1; 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 2; 3; III
• Australian Hazchem: 2Z
• Risk Statements: 11-22-36/38-40-48/20/22-67; 11-22-36-40-48/20/22-66-67; 11-23/24/25-39/23/24/25; 11-36/38-40-48/20/22-66-67; 11-36-40-66-67; 11-36-66-67; 22-36/38-40-48/20/21/22-67-68; 22-38-40-48/20/22; 45-46-11-23/24/25-36/37/38; R:22-38-40-48/20/22; R22, R38, R40, R48/20/22
• Safety Statements: 16-26-36/37; 26-36/37; 36/37; 53-16-23-25-26-36/37/39-45; 7-16-36/37-45; 9-16-26; 9-16-26-36/37; S:36/37; S2, S36/37
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 151
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• Main Hazard: Harmful (Xn), Irritant (Xi), Carc. Cat. 2B
• NFPA704:
  

  2
• Permissible exposure limit: 50 ppm (240 mg/m^3) (OSHA)
• GHS Hazard statements: H225-H301-H311-H331-H370; H225-H302-H315-H319-H336-H351-H373; H225-H315-H319-H336-H351-H373; H225-H319-H336-H351; H225-H319-H336-H351-H373; H302-H315-H319-H351-H373; H302-H315-H351-H373; H351-H373-H302-H315
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P210-P261-P281-P305 + P351 + P338; P260-P280-P302+P352-P321-P405-P501A; P281; P281-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1090 3/PG 2; UN 1230 3/PG 2; UN 1888 6.1/PG 3
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.
• Storage Temperature: 2-8°C; room temp

Product Information

• Purity: ≥99%; ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (chloroform + ethanol, GC); ≥99.5%; ≥99.5% (chloroform + ethanol, GC); ≥99.5% (GC); ≥99.8%; ≥99.8% (chloroform + ethanol, GC); ≥99.8% chloroform + ethanol basis (GC); ≥99.9%; ≥99.9% (GC); 99%, stab. with 0.8-1% ethanol; 99.0-99.4%; 99.0-99.4% (GC); 99.5+%; 99.5+% min; 99.5+% min, stab. with amylene; 99.8+%; 99.8+%, stab. with ethanol; 99-99.4% (GC)
• Concentration: 0.3% in acetone-d6 (99.9 atom % D); 1% in acetone-d6 (99.9 atom % D); 10% in acetone-d6 (99.9 atom % D); 2% in acetone-d6 (99.9 atom % D); 2% in chloroform-d (99.8 atom % D); 20% in acetone-d6 (99.9 atom % D); 200 μg/mL in methanol; 3% in acetone-d6 (99.9 atom % D); 5% in acetone-d6 (99.9 atom % D); 50% in acetone-d6 (99.9 atom % D); 5000 μg/mL in methanol
• Grade: ACS; ACS reagent; ACS spectrophotometric grade; analytical standard; analytical standard, for environmental analysis; anhydrous; biotech. grade; capillary GC grade; CHROMASOLV®; CHROMASOLV® Plus; for determinations with dithizone; for HPLC; for IR spectroscopy; for residue analysis; for UV-spectroscopy; HPLC; HPLC grade; JIS special grade; LC-NMR reference standard; NMR grade; NMR reference standard; PCR Reagent; PRA grade; purification grade; puriss. p.a.; purum; REAGENT; ReagentPlus®; SAJ first grade; SAJ super special grade; SPECTRANAL™; SPECTRUM; technical
• Compostion: chromium(III) acetylacetonate, 0.2%; chromium(III) acetylacetonate, 2%; TMS, 0.2%
• Packaging: ampule of 1 mL; vial of 1.5 mL
• Suitability: complies for appearance; complies for appearance of solution; complies for IR spectroscopy; complies for reaction against H2SO4; complies for suitability of determ. w. dithizone; negative for detection of free chlorine; negative for detection of phosgene; passes test for dithizone test; passes test for HPLC; passes test for IR spectroscopy; passes test for reaction against H2SO4; passes test for suitability for UV spectroscopy; passes test for suitability of determ. w. dithizone; suitable for 300 per JIS; suitable for 5000 per JIS; suitable for 601 per US EPA
• Evaporation Residue: <0.0001%; <0.0003%; <0.001%; ≤0.0001%; ≤0.0005%; ≤0.001%; ≤0.002%; 0.001%
• Impurities: <0.0001% aldehyde (as CH3CHO); <0.0001% formaldehyde (HCHO); <0.001% water; <0.005% water(100 mL pkg); <0.01% water; <0.01% water (Karl Fischer); <0.010% water; <0.02% water; <0.03% water; <1 ng/mL organic residue (GC/FID, as toluene); ≤0.00001% free chlorine (Cl); ≤0.00005% free acid (as HCl); ≤0.0001% aldehyde (as CH3CHO); ≤0.0001% formaldehyde (HCHO); ≤0.0002% ketone (as CH3COCH3); ≤0.0005% non-volatile matter; ≤0.001% free acid (as HCl); ≤0.001% non-volatile matter; ≤0.005% aldehydes and ketones (as CH3COCH3); ≤0.005% carbonyl compounds (as CO); ≤0.01% dichloromethane (GC); ≤0.01% tetrachloroethene (GC); ≤0.01% tetrachloromethane (GC); ≤0.01% trichloroethene (GC); ≤0.01% water; ≤0.01% water (Karl Fischer); ≤0.02% water; ≤0.03% dichloromethane (GC); ≤0.03% water; ≤0.05% water; ≤0.05% water (Karl Fischer); ≤0.1% water; ≤0.5 ppb Fluorescence (quinine) at 365 nm; ≤100% trichloroethene (GC); 0.005% water(100mL); 0.6-1.0% ethanol (GC); Acetone and aldehyde, passes test; Acetone and aldehyde, passes test(limit 0.005%); acetone, aldehyde, in accordance(nessler test); Acid and chloride, passes test; free acid and chloride, complies; Free acid, in accordance; free chlorine (Cl), in accordance; Free chlorine (Cl), passes test; Free chorine (Cl), passes test; H2SO4, passes test; H2SO4, passes test(darkened); related substances, complies (GC); Substances darkened by sulfuric acid, passes test
• Cation Traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.05 mg/kg; Pb: ≤0.05 ppm; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Antion Traces: chloride (Cl-): ≤1 mg/kg; chloride (Cl-): in accordance
• Contains: ~0.001% amylene as stabilizer; ~0.003% amylene as stabilizer; ~0.5% ethanol as stabilizer; ~1% ethanol as stabilizer; 0.4-0.8% ethanol; 0.5-1% ethanol as stabilizer; 0.5-1.0% ethanol as stabilizer; 100-200 ppm amylenes as stabilizer; amylenes as stabilizer; Amylenes as stabilizer; ethanol as stabilizer
• Foreign Activity: DNase, RNase, none detected
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: glass distillation
• Quality: amylene stabilized; meets analytical specification of DAB9, BP
• NMR tube O.D. × L: 10 mm × 8 in.; 3 mm × 8 in.; 4 mm × 8 in.; 5 mm × 8 in.; 6.5 mm × 8 in.; 8 mm × 8 in.
• λ: 1 cm path, H2O reference; H2O reference
• Halogenated residue (GC/ECD): <10 ng/L (as heptachlor epoxide); <2 ng/L (as lindane)
• Feature: standard type calibration
• abs.: absorption/ in accordance
• NMR tube O.D.: 10 mm; 3 mm; 5 mm
• Empirical Formula (Hill Notation): CHCl3

DETAILS

MP Biomedicals - 02193814

ACS Reagent Grade
Spectro Grade

MP Biomedicals - 02194002

Molecular Biology Reagent
Purity: 99+%
For nucleic acid purification. Improves extraction of crude DNA when used with phenol.

MP Biomedicals - 02194800

Molecular Biology Reagent
Purity: 99+%
Used for PCR aqueous phase recovery overlaid with mineral oil.

Sigma Aldrich - C7559

Application
促进被矿物油覆盖的 PCR 反应水相的回收。

Sigma Aldrich - 720992

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1H line shape

Sigma Aldrich - 720305

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Suitable for pesticide residue analysis

Sigma Aldrich - 736430

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1H line shape

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1H line shape

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1H line shape

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Packaging
Packaged in safety cans

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1H line shape

Sigma Aldrich - 611786

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Sigma Aldrich - 487163

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1H line shape

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Other Notes
Contains acid & chloride

Sigma Aldrich - 487759

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1H line shape

Sigma Aldrich - 613304

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1H line shape

Sigma Aldrich - 733814

Features and Benefits
1H line shape

Sigma Aldrich - 717908

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1H line shape

Sigma Aldrich - 25669

General description
no impurities present which would show greater signals than 5 ng/l lindane, in the GC/ECD retention time range of lindane to DDT
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Sigma Aldrich - 650471

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Suitable for environmental analysis
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4×4 L in glass bottle

Sigma Aldrich - 611743

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1H line shape

Sigma Aldrich - 611778

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1H line shape

Sigma Aldrich - 443573

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4 L in safety can

Sigma Aldrich - 472476

Packaging
1, 6×1, 2, 2.5, 4×4 L in glass bottle
500, 6×500 mL in glass bottle

Sigma Aldrich - 319988

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1, 6×1, 2, 4×2, 2.5, 4×2.5, 4×4 L in glass bottle
20, 200 L in steel drum
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Sigma Aldrich - 288306

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1, 2 L in Sure/Seal™
100, 12×100 mL in Sure/Seal™

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1H line shape

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1H line shape

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1H line shape

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1H line shape

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Application
For use in LC-NMR

Sigma Aldrich - 735981

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Sigma Aldrich - 34902

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Meets ACS specifications.
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200 L in Pure-Pac™ 1

Sigma Aldrich - 34854

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100 mL in glass bottle
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Sigma Aldrich - 25690

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Sigma Aldrich - 24263

Caution
Restricted to professional users. Attention - Avoid exposure - obtain special instructions before use.

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包装
1, 2.5 L in glass bottle
25, 500 mL in glass bottle

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1, 6×1, 2, 4×4 L in glass bottle

REFERENCES

• For example of use in the generation of dichlorocarbene under phase-transfer catalysis, see: Org. Synth. Coll., 7, 12 (1990). See also Bromoform, A11904.
• In the presence of base, phenols undergo formylation predominantly in the ortho-position, to give salicylaldehyde derivatives (the Reimer-Tiemann reaction). The mechanism probably involves dichlorocarbene, and yields are generally rather low. For an example, see: Org. Synth. Coll., 3, 463 (1955); review: Org. React., 28, (1982). Improved procedures have been reported: Synth. Commun., 18, 2095 (1988); and, using ultrasound: Synth. Commun., 20, 609 (1990); for an example, see 4-Chlorophenol, A15602.