CAS 18991-98-5 Butyl bromoacetate (HCID 87883)

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Basic information

CAS: 18991-98-5
Standard SMILES: CCCCOC(=O)CBr
InChIKey: NMEGSGKCIWQRDB-UHFFFAOYSA-N
Molecular formula: C6H11BrO2
Average molar mass: 195.05 g/mol
Monoisotopic mass: 193.99424169

Names & identifiers

Preferred name: Butyl bromoacetate
IUPAC: butyl 2-bromoacetate
English name: butyl bromoacetate
Molecular formula: C6H11BrO2
Molecular weight: 195.05

Names & synonyms

Butyl bromoacetatebutyl 2-bromoacetateAcetic acid, bromo-, butyl esterBromoacetic acid butyl esterL25B41GO8KEINECS 242-729-9Bromoacetic acid, butyl esterDTXSID70172420ACETIC ACID, 2-BROMO-, BUTYL ESTERRefChem:122228DTXCID3094911242-729-9

Show more names

butyl 2-bromoethanoate4-BROMOBUTYL ACETATE 97%2-bromoacetic acid butyl ester

NMEGSGKCIWQRDB-UHFFFAOYSA-N18991-98-5butyl2-bromoacetatebutylbromoacetateUNII-L25B41GO8Kbromo-acetic acid butyl esterSCHEMBL362068AKOS016352946

Database identifiers

CAS: 18991-98-5
PubChem CID: 87883
DTXSID: DTXSID70172420
UNII: L25B41GO8K
EC Number: 242-729-9
Nikkaji: J102.134F

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 83.1

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 158 · 158-160 °C(Solv: water (7732-18-5))
Boiling point: 78 °C · 78 °C(Press: 10 Torr)
Density: 1.352 · 1.352±0.06 g/cm3(Predicted)
REACH Annex XVII Substances List: Butyl bromoacetate (18991-98-5)
FDA UNII: 25 B41GO8K · L25B41GO8K
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Hazard information

Regulatory InformationRestricted substance: Butyl bromoacetate

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesButyl Bromoacetate is a versatile reactant used in the synthetic preparation of biodegradable, non-bactericidal oxygen-functionalized imidazolium ester ionic liquids.