dichloro(2H2)methane

• ChemBase ID: 126922
• Molecular Formular: CH2Cl2
• Molecular Mass: 84.93258
• Monoisotopic Mass: 83.95335542
• SMILES: C(Cl)Cl
• Canonical SMILES: ClCCl
• InChI: InChI=1S/CH2Cl2/c2-1-3/h1H2
• InChIKey: YMWUJEATGCHHMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(^2H₂)methane
• IUPAC Traditional name: deuterated dichloromethane
• Synonyms: Dichloromethane-d; Deuterated dichloromethane; Dideuteromethylenechloride; Methylene chloride-d2; Dichloromethane-d2; 二氯甲烷-d2

Database IDs

• CAS Number: 1665-00-5
• EC Number: 216-776-0
• MDL Number: MFCD00000882
• Beilstein Number: 1733318
• PubChem SID: 24874245; 24868786; 24868222; 24858687; 162221248; 24856177; 24857841; 24854201; 24853971; 24877753; 24874253; 24850697; 24877751; 24854210; 24879844; 24868115
• PubChem CID: 160586
• Chemspider ID: 141111
• Wikipedia Title: Deuterated_dichloromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2889379
• LogD (pH = 7.4): 1.2889379
• Log P: 1.2889379
• Molar Refractivity: 16.4383 cm^3
• Polarizability: 6.386103 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; Liquid, in prescored ampoules, 0.75ml/ampoule
• Boiling Point: 40 °C(lit.); 40°C
• Density: 1.35; 1.362 g cm^-3; 1.362 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.422(lit.)
• Vapor Pressure: 24.77 psi ( 55 °C); 24.96 psi ( 55 °C); 25.59 psi ( 55 °C); 25.72 psi ( 55 °C); 52.6 kPa (at 20 °C); 7.02 psi ( 20 °C); 7.06 psi ( 20 °C); 7.11 psi ( 20 °C); 7.61 psi ( 20 °C); 7.63 psi ( 20 °C)
• Absorption Wavelength: 230
• Mass Shift: M+2

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1593; UN1593
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 40; R40
• Safety Statements: 23-24/25-36/37; 36/37; S23, S24/25, S36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

  0
• GHS Hazard statements: H351; H351-H302-H333
• GHS Precautionary statements: P260-P280H-P262; P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1593 6.1/PG 3

Product Information

• Isotopic Purity: 99.5 atom % D; 99.9 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
• Contains: 0.03 % (v/v) TMS; 0.1 % (v/v) TMS; 1 % (v/v) TMS
• Mol. Weight: mol wt 86.95
• Linear Formula: CD2Cl2

DETAILS

Sigma Aldrich - 444324

Packaging
10×0.6, 10×0.75, 10×1 mL in ampule
10, 25 g in glass bottle
5 g in ampule

Sigma Aldrich - 269883

Packaging
10 g in ampule
25 g in glass bottle

Sigma Aldrich - 237027

Packaging
1 pkg in ampule

Sigma Aldrich - 522112

Packaging
10 g in glass bottle

Sigma Aldrich - 530492

Packaging
1, 5, 10 g in ampule
25 g in glass bottle

Sigma Aldrich - 296163

Packaging
1, 5, 10 g in ampule
25 g in glass bottle

Sigma Aldrich - 236942

Packaging
1 pkg in ampule

Sigma Aldrich - 522031

Packaging
1 pkg in ampule

Sigma Aldrich - 446106

Packaging
1 pkg in ampule

Sigma Aldrich - 233366

Packaging
10×0.5 mL in ampule
5 g in glass bottle

Sigma Aldrich - 308773

Packaging
1 pkg in ampule

Sigma Aldrich - 177865

Packaging
1, 5, 10 g in ampule
10×1 mL in ampule
25 g in glass bottle

Sigma Aldrich - 560103

Packaging
1 pkg in ampule

Sigma Aldrich - 530506

Packaging
1, 5, 10 g in ampule
25 g in glass bottle