CAS 360575-29-7 Methyl 4-bromo-1-benzothiophene-2-carboxylate (HCID 22473901)

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Basic information

CAS: 360575-29-7
Standard SMILES: COC(=O)c1cc2c(Br)cccc2s1
InChIKey: AOQIBJZMRMVKSH-UHFFFAOYSA-N
Molecular formula: C10H7BrO2S
Average molar mass: 271.13 g/mol
Monoisotopic mass: 269.93501256

Names & identifiers

Preferred name: Methyl 4-bromo-1-benzothiophene-2-carboxylate
IUPAC: methyl 4-bromo-1-benzothiophene-2-carboxylate
English name: 4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Molecular formula: C10H7BrO2S
Molecular weight: 271.13

Names & synonyms

360575-29-7Methyl 4-bromobenzo[b]thiophene-2-carboxylateMethyl 4-bromo-1-benzothiophene-2-carboxylateDTXSID30625902Methyl 4-bromobenzo(b)thiophene-2-carboxylateRefChem:816215DTXCID60576655966-580-04-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTERMFCD07371547SCHEMBL8289764-bromobenzo[b]thiophene-2-carboxylic acid methyl ester

Show more names

Methyl 4-Bromobenzothiophene-2-carboxylateMethyl 4-bromobenzo[b]thiophene-2-caboxylateBenzo[b]thiophene-2-carboxylic acid, 4-bromo-, methyl ester

Methyl-4-bromobenzo[b]thiophene-2-carboxylateDTXSID30625SCHEMBL29749445AOQIBJZMRMVKSH-UHFFFAOYSA-NKPA57529AKOS005072782FA-0932PB30905

Database identifiers

CAS: 360575-29-7
PubChem CID: 22473901
DTXSID: DTXSID30625902
EC Number: 966-580-0

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 234

Physicochemical properties

Melting point: 105 · 105-108°
Boiling point: 358.9 · 358.9±22.0 °C(Predicted)
Density: 1.622 · 1.622
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

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, 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.