trichloro(2H)methane

• ChemBase ID: 106228
• Molecular Formular: CHCl3
• Molecular Mass: 119.37764
• Monoisotopic Mass: 117.91438307
• SMILES: C(Cl)(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: trichloro(^2H)methane; trichloro(^2H)methane
• IUPAC Traditional name: deuterated chloroform
• Synonyms: Chloroform-d; Chloroform-d; Deuterated chloroform; CHLOROFORM [D1]; CHLOROFORM-D; Deuterochloroform; CHLOROFORM [D, 99.8%]; 氘代氯仿; 氯仿-d; 氘代氯仿-d

Database IDs

• CAS Number: 865-49-6
• EC Number: 212-742-4
• MDL Number: MFCD00000827
• Beilstein Number: 1697633
• PubChem SID: 24849171; 24865925; 24868784; 24868141; 24854198; 24866473; 24882093; 24877772; 24867654; 24853521; 24874242; 24866519; 24872891; 24880586; 24872890; 24867214; 24854197; 24880507; 162094243; 24849168; 24849167; 24858686; 24867055
• PubChem CID: 71583
• Chemspider ID: 64654
• Wikipedia Title: Deuterated_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

• Apperance: Liquid; Liquid in prescored ampoules, 0.75ml/ampoule
• Melting Point: -64 °C(lit.); -64°C; -64°C
• Boiling Point: 60.9 °C(lit.); 61°C; 62°C
• Density: 1.50; 1.500 g cm^-3; 1.500 g/mL at 25 °C(lit.)
• Refractive Index: 1.4445; n20/D 1.444(lit.)
• Mass Shift: M+1

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1888; UN1888
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 22-38-40-48/20/22; R22, R38, R40, R48/20/22
• Safety Statements: 2-36/37; 36/37; S36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• NFPA704:
  

  0

  2

  0
• GHS Hazard statements: H300-H315-H351-H373-H333; H302-H315-H351-H373; H351-H373-H302-H315
• GHS Precautionary statements: P260-P280-P302+P352-P321-P405-P501A; P260-P301+P310-P302+P352-P321-P405-P501A; P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1888 6.1/PG 3

Product Information

• Purity: 100% (Isotopic); 100% (Isotopic), contains 0.03% v/v TMS; 99.8%; 99.8% (Isotopic); 99.8% (Isotopic), contains 0.03% v/v TMS; 99.8% (Isotopic), contains 1% v/v TMS; 99.96%
• Grade: anhydrous
• Isotopic Purity: 100 atom % D; 99.8 atom % D; 99.96 atom % D
• Packaging: pk of 10 × 0.25 mL; pk of 10 × 0.5 mL; pk of 10 × 0.6 mL; pk of 10 × 0.75 mL; pk of 10 × 1 mL; pk of 5 × 0.5 mL
• Impurities: <10 ppm water
• Contains: 0.03 % (v/v) TMS; 0.05 % (v/v) TMS; 0.1 % (v/v) TMS; 0.5 wt. % silver foil as stabilizer; 0.5 wt. % silver wire as stabilizer; 1 % (v/v) TMS
• Linear Formula: CDCl3

DETAILS

MP Biomedicals - 02510811

CDCl₃
Purity: 99.96% D atom.
d=1.50 gm/ml
Poison, UN 1888

MP Biomedicals - 02510709

CDCl₃
Contains ±1% TMS.
Purity: 99.8% D atom.
d= 1.50 gm/ml
Poison, UN 1888

MP Biomedicals - 02510710

CDCl₃
Purity: 99.8% D atom.
d= 1.50 gm/ml
Poison, UN 1888

Sigma Aldrich - 423092

Packaging
1 pkg in ampule

Sigma Aldrich - 612200

Packaging
100 g in glass bottle

Sigma Aldrich - 522015

Packaging
1 pkg in ampule

Sigma Aldrich - 441333

Packaging
1 pkg in ampule

Sigma Aldrich - 423661

Packaging
1 pkg in ampule

Sigma Aldrich - 225789

Packaging
10×1 mL in ampule
500 g in glass bottle
150 g in Sure/Seal™
50, 100 g in glass bottle

Sigma Aldrich - 151858

Packaging
10×0.5, 10×0.75, 10×1 mL in ampule
10, 50 g in glass bottle

Sigma Aldrich - 151831

Packaging
150 g in Sure/Seal™
50, 100 g in glass bottle
250 g in glass bottle

Sigma Aldrich - 434876

Packaging
100 g in glass bottle
150 g in Sure/Seal™
500 g in glass bottle

Sigma Aldrich - 236918

Packaging
1 pkg in ampule

Sigma Aldrich - 444731

Packaging
1 pkg in ampule

Sigma Aldrich - 530735

Packaging
100, 250 g in glass bottle

Sigma Aldrich - 494275

Packaging
10 g in ampule
10×0.75 mL in ampule
50 g in glass bottle

Sigma Aldrich - 308730

Packaging
5×0.5 mL in ampule

Sigma Aldrich - 494283

Packaging
1 pkg in ampule

Sigma Aldrich - 151823

Packaging
1, 1.5 kg in glass bottle
10×0.6, 10×0.75, 10×1 mL in ampule
250 g in glass bottle
150 g in Sure/Seal™
50, 100 g in glass bottle

Sigma Aldrich - 570699

Packaging
50 g in Sure/Seal™

Sigma Aldrich - 416754

Packaging
100, 250 g in glass bottle

Sigma Aldrich - 431915

Packaging
10 mL in ampule
50 mL in glass bottle

Sigma Aldrich - 236896

Packaging
1 pkg in ampule