Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate

HCID 53395294

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Basic information

CAS: 946-99-6
Standard SMILES: COC(=O)C=Cc1ccc(CBr)cc1
InChIKey: ZSRCGGBALFGALF-UHFFFAOYSA-N
Molecular formula: C11H11BrO2
Average molar mass: 255.11 g/mol
Monoisotopic mass: 253.99424169

Names & identifiers

Preferred name: Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate
IUPAC: methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate

Names & synonyms

Methyl 3-[4-(bromomethyl)phenyl]-2-propenoateMethyl 3-(4-(bromomethyl)phenyl)-2-propenoateRefChem:354671946-99-6methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate4-bromomethyl cinnamateOzagrel Impurity 642-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl esterMethyl 3-(4-bromomethyl)SCHEMBL1125372ZSRCGGBALFGALF-UHFFFAOYSA-NDTXSID401250638

Show more names

AKOS025243928DS-017545F8692964-Bromomethylcinnamic acid methyl ester; 3-(4-Brommethyl)-phenyl-propenoic acid methyl ester

Database identifiers

CAS: 946-99-6
PubChem CID: 53395294
DTXSID: DTXSID401250638
EC Number: 619-059-4

Properties

Computed structural propertiesFilling in

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 205

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.