CAS 10133-30-9 Benzo(b)thiophene-5-carboxaldehyde (HCID 139097)

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Basic information

CAS: 10133-30-9
Standard SMILES: O=Cc1ccc2sccc2c1
InChIKey: QHHRWAPVYHRAJA-UHFFFAOYSA-N
Molecular formula: C9H6OS
Average molar mass: 162.21 g/mol
Monoisotopic mass: 162.01393581

Names & identifiers

Preferred name: Benzo(b)thiophene-5-carboxaldehyde
IUPAC: 1-benzothiophene-5-carbaldehyde
English name: 1-Benzothiophene-5-carbaldehyde
Molecular formula: C9H6OS
Molecular weight: 162.21

Names & synonyms

1-benzothiophene-5-carbaldehyde10133-30-9Benzo[b]thiophene-5-carboxaldehydeBenzo(b)thiophene-5-carboxaldehydeDTXSID30143853RefChem:565185DTXCID3066344639-347-3benzo[b]thiophene-5-carbaldehyde5-formylbenzothiopheneMFCD056636735-Formylbenzo[b]thiophene

Show more names

5-Formylbenzo[b]thiophene, 1-Benzothiophene-5-carboxaldehyde

CHEMBL3358197BENZOTHIOPHENE-5-CARBALDEHYDE1-Benzothiophene-5-carboxaldehydeSCHEMBL97411SCHEMBL632443benzo[b]thiophen-5-carbaldehydeSCHEMBL29952287BUTTPARK 98\04-78

Database identifiers

CAS: 10133-30-9
PubChem CID: 139097
DTXSID: DTXSID30143853
ChEMBL: CHEMBL3358197
EC Number: 639-347-3
Nikkaji: J150.982I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 53 °C · 53 °C
Boiling point: 303.2 · 303.2±15.0 °C(Predicted)
Density: 1.3 · 1.300±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 271 · P271-P261-P280
Hazard Note: Harmful
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.