1,1-dichloroethane

• ChemBase ID: 9124
• Molecular Formular: C2H4Cl2
• Molecular Mass: 98.95916
• Monoisotopic Mass: 97.96900549
• SMILES: C(C)(Cl)Cl
• Canonical SMILES: CC(Cl)Cl
• InChI: InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
• InChIKey: SCYULBFZEHDVBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloroethane
• IUPAC Traditional name: 1,1-dichloroethane
• Synonyms: 1,1-Dichloroethane; 1,1-DICHLORETHANE; 1,1-Dichloroethane; 1,1-Dichloroethane 95+%; ethylidene dichloride; ethylidene chloride; CFC-150a; 1,1-DCA; 1,1-二氯乙烷; 二氯化亚乙基

Database IDs

• CAS Number: 75-34-3
• EC Number: 200-863-5
• MDL Number: MFCD00013673
• Beilstein Number: 1696901
• PubChem SID: 24863006; 24872026; 160972431
• PubChem CID: 6365
• CHEMBL: 45079
• Chemspider ID: 6125
• KEGG ID: C18247
• Wikipedia Title: 1,1-Dichloroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5184708
• LogD (pH = 7.4): 1.5184708
• Log P: 1.5184708
• Molar Refractivity: 21.2806 cm^3
• Polarizability: 8.179762 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -97 °C; -97.4°C
• Boiling Point: 57°C; 57.2 °C; 57.3°C
• Flash Point: -10 °C; 14 °F; -6°C
• Density: 1.174 g/ml; 1.18; 1.2 g/cm3

Safety Information

• Storage Warning: Flammable/Harmful/Irritant; IRRITANT, FLAMMABLE
• RTECS: KI0175000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2362
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-36/37-52/53; R:11-22-36/37-52/53
• Safety Statements: 16-23-61; S:16-23-61
• TSCA Listed: true
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H319-H335-H412
• GHS Precautionary statements: P210-P261-P273-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2362 3/PG 2

Product Information

• Purity: 95%
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 500 mg
• Linear Formula: CH3CHCl2

DETAILS

MP Biomedicals - 05210129

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR3712

Stabilised with nitromethane