Ethyl 3-bromo-2,2-dimethylpropanoate

HCID 12373576

Notes Reactions

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Basic information

CAS: 2843-18-7
Standard SMILES: CCOC(=O)C(C)(C)CBr
InChIKey: OKSCUZSVZULTMP-UHFFFAOYSA-N
Molecular formula: C7H13BrO2
Average molar mass: 209.08 g/mol
Monoisotopic mass: 208.00989176

Names & identifiers

Preferred name: Ethyl 3-bromo-2,2-dimethylpropanoate
IUPAC: ethyl 3-bromo-2,2-dimethylpropanoate
English name: ethyl 3-bromo-2,2-dimethylpropanoate
Molecular formula: C7H13BrO2
Molecular weight: 209.08

Names & synonyms

Ethyl 3-bromo-2,2-dimethylpropanoate2843-18-7RefChem:138679810-678-7MFCD244480733-bromo-2,2-dimethylpropionic acid ethyl esterSCHEMBL399728SCHEMBL27565922OKSCUZSVZULTMP-UHFFFAOYSA-NDTXSID101290845CAA84318Ethyl3-bromo-2,2-dimethylpropanoate

Show more names

Propanoic acid, 3-bromo-2,2-dimethyl-, ethyl ester

ethyl 3-bromo-2,2-dimethyl-propanoateSY143561DB-208724CS-0140566EN300-112729F82776F621652

Database identifiers

CAS: 2843-18-7
PubChem CID: 12373576
DTXSID: DTXSID101290845
EC Number: 810-678-7

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Boiling point: 62 · 62-63 °C(Press: 7 Torr)
Density: 1.2713 g/cm3 · 1.2713 g/cm3(Temp: 25 °C)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2915907098 · 2915907098

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2915907098
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362