CAS 58763-73-8 Methyl 3-(bromomethyl)-2-benzofurancarboxylate (HCID 100838)

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Basic information

CAS: 58763-73-8
Standard SMILES: COC(=O)c1oc2ccccc2c1CBr
InChIKey: DUXQSFDZZHXQGM-UHFFFAOYSA-N
Molecular formula: C11H9BrO3
Average molar mass: 269.09 g/mol
Monoisotopic mass: 267.97351

Names & identifiers

Preferred name: Methyl 3-(bromomethyl)-2-benzofurancarboxylate
IUPAC: methyl 3-(bromomethyl)-1-benzofuran-2-carboxylate
English name: methyl 3-(bromomethyl)-2-benzofurancarboxylate
Molecular formula: C11H9BrO3
Molecular weight: 269.09

Names & synonyms

58763-73-8Methyl 3-(bromomethyl)-2-benzofurancarboxylateEINECS 261-428-3DTXSID20207498RefChem:157428DTXCID20129989261-428-3methyl 3-(bromomethyl)-1-benzofuran-2-carboxylateMFCD09971574Methyl 3-(bromomethyl)benzofuran-2-carboxylateSCHEMBL4450853-Bromomethylbenzofuran-2-carboxylic acid methyl ester

Show more names

3-(Bromomethyl)benzofuran-2-carboxylic acid methyl ester2-Benzofurancarboxylic acid, 3-(bromomethyl)-, methyl ester

AKOS009222605DB-319891CS-0246183methyl 3-bromomethylbenzofuran-2-carboxylateNS00034013EN300-31871Methyl 3- bromomethylbenzofuran-2-carboxylateMethyl3-(bromomethyl)benzofuran-2-carboxylate

Database identifiers

CAS: 58763-73-8
PubChem CID: 100838
DTXSID: DTXSID20207498
EC Number: 261-428-3
Nikkaji: J297.022H

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 244

Physicochemical properties

Boiling point: 357.4 · 357.4±32.0 °C(Predicted)
Density: 1.548 · 1.548±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H315-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H315-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362