1-bromo-2-chloroethane

• ChemBase ID: 123296
• Molecular Formular: C2H4BrCl
• Molecular Mass: 143.41016
• Monoisotopic Mass: 141.91848981
• SMILES: ClCCBr
• Canonical SMILES: ClCCBr
• InChI: InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
• InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-chloroethane
• IUPAC Traditional name: 1-bromo-2-chloroethane
• Synonyms: 1-bromo-2-chloroethane; Ethylene bromochloride; Ethylene chlorobromide; 1-Bromo-2-chloroethane; 亚乙基氯溴化物; 氯乙基溴; 1-溴-2-氯乙烷

Database IDs

• CAS Number: 107-04-0
• EC Number: 203-456-0
• MDL Number: MFCD00000962
• Beilstein Number: 605265
• PubChem SID: 162217649; 24853925; 24850159
• PubChem CID: 7849

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6859999
• LogD (pH = 7.4): 1.6859999
• Log P: 1.6859999
• Molar Refractivity: 23.6391 cm^3
• Polarizability: 9.269453 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -18°C; -18--14 °C(lit.)
• Boiling Point: 106-107 °C(lit.); 106-107°C
• Flash Point: None
• Density: 1.723 g/mL at 25 °C(lit.); 1.726
• Refractive Index: 1.4900; n20/D 1.488(lit.); n20/D 1.490

Safety Information

• Storage Warning: Light Sensitive
• RTECS: KH6500000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810; UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 45-20/21-25-36/37/38; 45-20/21-25-37/38
• Safety Statements: 53-36/37-45; 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312 + H332-H315-H335-H350; H301-H312-H332-H315-H319-H335-H350
• GHS Precautionary statements: P201-P261-P280-P301 + P310-P308 + P313; P201-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: ≥95.0% (GC); 98%
• Grade: purum
• Impurities: ~0.5% 1,2-dibromoethane
• Linear Formula: ClCH2CH2Br

DETAILS

Sigma Aldrich - 232750

Packaging
5, 250 g in glass bottle