1,2-dichloroethane

• ChemBase ID: 3385
• Molecular Formular: C2H4Cl2
• Molecular Mass: 98.95916
• Monoisotopic Mass: 97.96900549
• SMILES: ClCCCl
• Canonical SMILES: ClCCCl
• InChI: InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
• InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloroethane
• IUPAC Traditional name: ethylene dichloride
• Synonyms: Ethylene Dichloride; Ethane dichloride; Dutch liquid, Dutch oil; Freon 150; 1,2-Dichloroethane; 1,2-Dichloroethane, Spectrophotometric Grade; 1,2-Dichloroethane, HPLC Grade; 1,2-Dichloroethane, ACS; Ethylene dichloride; 1,2-DICHLOROETHANE; Dichloro-1,2-Ethane; Bichlorure d'ethylene; Dutch Oil; 1,2-DICHLOROETHANE ACS REAGENT GRADE; 1,2-DICHLOROETHANE, ANHYDROSOLV GRADE; 1,2-DICHLOROETHANE, HPLC/SPECTRO GRADE; Ethylene chloride; EDC; 二氯化乙烯; 氯化乙烯; 1,2-二氯乙烷; 1,2-二氯乙烷, 光谱级; 1,2-二氯乙烷, HPLC级; 1,2-二氯乙烷,ACS

Database IDs

• CAS Number: 107-06-2
• EC Number: 203-458-1
• MDL Number: MFCD00000963
• Beilstein Number: 605264
• Merck Index: 143797
• PubChem SID: 24845496; 24845319; 160966826; 24845497; 24859199; 24872022; 24894007; 24856381; 24849474; 24857161; 46504791; 24845498
• PubChem CID: 11
• CHEMBL: 16370
• Chemspider ID: 10
• KEGG ID: C06752
• Unique Ingredient Identifier: 55163IJI47
• Wikipedia Title: 1,2-Dichloroethane

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5005046
• LogD (pH = 7.4): 1.5005046
• Log P: 1.5005046
• Molar Refractivity: 20.6556 cm^3
• Polarizability: 8.169801 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.48
• LOG S: -1.22
• Solubility (Water): 5.94e+00 g/l

PROPERTIES

Physical Property

• Solubility: 0.87 g/100 mL (20 °C) in water
• Apperance: APHA: ≤10; clear; Colorless liquid with; characteristic odor; Liquid
• Melting Point: -35 °C(lit.); -35°C; -35°C; -36 °C; -36°C
• Boiling Point: 82.5-84.5 °C(lit.); 83 °C; 83 °C(lit.); 83.5 °C at 1013 hPa; 83.5°C; 83°C; 84°C
• Flash Point: 13 °C (closed cup); 13 °C; 15°C(59°F); 55 °F; 55.4 °F
• Auto Ignition Point: 413 °C at 1013 hPa; 775 °F
• Density: 1.25 g/cm^3 at 20 °C; 1.25 g/ml; 1.253 g/cm3, liquid; 1.256; 1.256 g/mL at 25 °C(lit.)
• Refractive Index: 1.4448; n20/D 1.444; n20/D 1.444(lit.); n20/D 1.445
• Vapor Pressure: 86 hPa at 20 °C; 87 mmHg ( 25 °C)
• Vapor Density: 3.4 (20 °C, vs air); 3.4 (air = 1)
• Absorption Wavelength: λ: 230 nm Amax: 0.5; λ: 230 nm Amax: 1.0; λ: 230 nm Amax: 1.00; λ: 240 nm Amax: 0.08; λ: 240 nm Amax: 0.50; λ: 245 nm Amax: 0.1; λ: 250 nm Amax: 0.016; λ: 250 nm Amax: 0.15; λ: 260 nm Amax: 0.007; λ: 270 nm Amax: 0.01; λ: 300-400 nm Amax: 0.01
• Viscosity: 0.84 mPa·s at 20 °C
• Transmittance: 230 nm, ≥25%; 245 nm, ≥90%; 270 nm, ≥98%

Safety Information

• Storage Condition: 2-8°C; 2-8°C, Store Under Nitrogen
• RTECS: KI0525000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T)
• UN Number: 1184; UN1184
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 2; II
• Australian Hazchem: 2YE
• Risk Statements: 45-11-22.1-36/37/38; 45-11-22-36/37/38; R:11-22-36/37/38-45-53; R11 R45 R36/37/38
• Safety Statements: 53.1-45; 53-45; S:16-29-45-53; S45 S53
• EU Classification: FT1
• EU Hazard Identification Number: 6.1A
• Emergency Response Guidebook(ERG) Number: 129
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• Main Hazard: Toxic, flammable
• NFPA704:
  

  3

  3

  0
• Explode Limits: 15.6 %
• GHS Hazard statements: H225-H302-H315-H319-H335-H350; H225-H350-H302-H315-H319-H335; H225-H350-H302-H315-H319-H335-H313
• GHS Precautionary statements: P201-P210-P261-P305 + P351 + P338-P308 + P313; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1184 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.8%; ≥99.8% (GC); ≥99.9% (GC); 99%; 99% min; 99.8%; 99+%
• Grade: absolute; ACS; ACS reagent; analytical standard; anhydrous; CHROMASOLV®; for HPLC; for luminescence; HPLC; JIS special grade; puriss.; puriss. p.a.; purum; REAGENT; ReagentPlus®; SAJ first grade; spectrophotometric grade
• Packaging: ampule of 500 mg
• Suitability: in accordance for luminescence
• Evaporation Residue: <0.0003%; <0.002%; ≤0.001%; ≤0.002%
• Impurities: <0.003% water; <0.005% water(100 mL pkg); <0.020% water; ≤0.0003 meq/g Titr. Acid; ≤0.0003 meq/g Titr. acid; ≤0.0003 meq/g Titratable acid; ≤0.0005% non-volatile matter; ≤0.001% free acid (as HCl); ≤0.005% non-volatile matter; ≤0.015% water (Karl Fischer); ≤0.02% water (Karl Fischer); ≤0.03% water; ≤0.03% Water (H2O); ≤0.05% water
• Cation Traces: Al: ≤0.5 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: ≤0.05 mg/kg; Fe: ≤0.5 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: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: glass distillation
• Quality: over molecular sieve (H2O ≤0.005%)
• Solvent Strength(ε Al2O3): 0.49
• λ: 1 cm path, H2O reference; H2O reference
• Linear Formula: ClCH2CH2Cl

DETAILS

MP Biomedicals - 02157642

Protein Sequencing Grade

MP Biomedicals - 02194041

ACS Reagent Grade

MP Biomedicals - 05224531

MP Biomedicals Rare Chemical collection

DrugBank - DB03733

Drug information: experimental

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