Benzyl 2-bromopropanoate

HCID 298874

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Basic information

CAS: 3017-53-6
Standard SMILES: CC(Br)C(=O)OCc1ccccc1
InChIKey: IZZIPPQWYVRGRS-UHFFFAOYSA-N
Molecular formula: C10H11BrO2
Average molar mass: 243.1 g/mol
Monoisotopic mass: 241.99424169

Names & identifiers

Preferred name: Benzyl 2-bromopropanoate
IUPAC: benzyl 2-bromopropanoate
English name: benzyl 2-bromopropanoate
Molecular formula: C10H11BrO2
Molecular weight: 243.1

Names & synonyms

benzyl 2-bromopropanoate3017-53-6DTXSID10305598RefChem:328424DTXCID602567282-Bromopropionic Acid Benzyl EsterBenzyl 2-Bromopropionate2-Bromopropionic Acid Phenylmethyl Ester2-Bromopropionic Acid Phenylmethyl Ester; Benzyl a-Bromopropionate; Benzyl 2-BromopropionateNSC171226Benzyl a-bromopropionateBenzyl-2-Bromopropionate

Show more names

Benzyl α-BroMopropionate2-bromopropanoic acidbenzyl esterPropanoic acid, 2-bromo-, phenylmethyl ester

Propanoic acid,2-bromo-, phenylmethyl esterSCHEMBL952559SCHEMBL30148056IZZIPPQWYVRGRS-UHFFFAOYSA-NMFCD00028027AKOS030254699FB19310HS-7117

Database identifiers

CAS: 3017-53-6
PubChem CID: 298874
DTXSID: DTXSID10305598
EC Number: 112-027-6
Nikkaji: J1.534.044D

Properties

Computed structural properties

XLogP: 2.8
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: 164

Physicochemical properties

Boiling point: 139 · 139-141 °C
Density: 1.41 · 1.410±0.06 g/cm3(Predicted)
storage temp.: Amber Vial, Refrigerator
solubility: Chloroform, Methanol
form: Oil
color: Colourless to Pale Yellow
Stability: Light Sensitive

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, 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.