Basic information
- CAS
6179-26-6- Standard SMILES
O=C(O)c1ccc2ccsc2c1- InChIKey
VMGLLMDIYIPVHX-UHFFFAOYSA-N- Molecular formula
- C9H6O2S
- Average molar mass
- 178.21 g/mol
Names & identifiers
- Preferred name
- 1-Benzothiophene-6-carboxylic acid
- IUPAC
- 1-benzothiophene-6-carboxylic acid
- English name
- 1-Benzothiophene-6-carboxylic acid
- Molecular formula
- C9H6O2S
- Molecular weight
- 178.21
Names & synonyms
6179-26-61-Benzothiophene-6-carboxylic acidRefChem:429643861-687-8benzo[b]thiophene-6-carboxylic acidbenzothiophene-6-carboxylic acidMFCD09035243Benzo(b)thiophene-6-carboxylic acid6-carboxybenzothiophene6-Benzothiophenecarboxylic acidSCHEMBL1891764SCHEMBL28140550
Show more names
benzothiophene-6-carboxylic acid - [B87098]
SCHEMBL28141374SCHEMBL30445266benzo[b]thiophene-6-carboxylicacidGAA179261-Benzothiophene-6-carboxylic acid #AKOS004123259SY103698DB-073013
Database identifiers
- CAS
6179-26-6- PubChem CID
- 601281
- EC Number
- 861-687-8
- Nikkaji
- J1.429.450C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 236 °C · 236 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 376.2 · 376.2±15.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P304+P340
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P304+P340
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
1 records
Compound notes
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