CAS 7115-91-5 Ethyl 2-(bromomethyl)benzoate (HCID 11032082)

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Basic information

CAS: 7115-91-5
Standard SMILES: CCOC(=O)c1ccccc1CBr
InChIKey: RDEWTAHSEKSPPT-UHFFFAOYSA-N
Molecular formula: C10H11BrO2
Average molar mass: 243.1 g/mol
Monoisotopic mass: 241.99424169

Names & identifiers

Preferred name: Ethyl 2-(bromomethyl)benzoate
IUPAC: ethyl 2-(bromomethyl)benzoate
English name: ETHYL 2-(BROMOMETHYL)BENZOATE
Molecular formula: C10H11BrO2
Molecular weight: 243.1

Names & synonyms

Ethyl 2-(bromomethyl)benzoate7115-91-5DTXSID70452673RefChem:593970DTXCID60403492689-310-0MFCD082352622-(Ethoxycarbonyl)benzyl bromideEthyl 2-(bromomethyl)ethyl a-bromo-o-toluateethyl o-bromomethylbenzoateEthyl 2-bromomethylbenzoate

Show more names

2-bromethyl benzoateBenzoic acid, 2-(bromomethyl)-, ethyl ester2-(bromomethyl)-Benzoic acid ethyl ester (9CI ACI)Benzoic acid, 2-(bromomethyl)-, ethyl ester (9CI, ACI)2-(Ethoxycarbonyl)benzyl bromide, Ethyl alpha-bromo-o-toluate

ethyl alpha-bromo-o-toluateEthylO-(Bromomethyl)BenzoateSCHEMBL1468126Ethyl2-(bromomethyl)benzoate97%RDEWTAHSEKSPPT-UHFFFAOYSA-NSBB0549052-bromomethyl-benzoic acid ethyl ester2-Bromomethylbenzoic Acid Ethyl Ester

Database identifiers

CAS: 7115-91-5
PubChem CID: 11032082
DTXSID: DTXSID70452673
EC Number: 689-310-0
Nikkaji: J33.621A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 170

Physicochemical properties

Boiling point: 90 · 90-95 °C(Press: 0.15 Torr)
Density: 1.402 · 1.402±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.