Basic information
- CAS
310390-60-4- Standard SMILES
COc1ccc2c(Cl)c(C(=O)O)sc2c1- InChIKey
LEAIEMOBUHEQNT-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3S
- Average molar mass
- 242.68 g/mol
- Monoisotopic mass
- 241.9804429
Names & identifiers
- Preferred name
- 3-Chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
- IUPAC
- 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
- English name
- 3-Chloro-6-methoxybenzo[b]thiophene-2-carboxylicacid
- Molecular formula
- C10H7ClO3S
- Molecular weight
- 242.68
Names & synonyms
310390-60-43-chloro-6-methoxy-1-benzothiophene-2-carboxylic acidDTXSID80351188RefChem:278478DTXCID203022553-chloro-6-methoxybenzo[b]thiophene-2-carboxylic acidMFCD00448910Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methoxy-3-Chloro-6-methoxy-benzo[b]thiophene-2-carboxylic acidF0818-00213-Chloro-6-methoxybenzo[b]thiophene-2-carboxylicacid3-chloro-6-methoxy-benzo(b)thiophene-2-carboxylic acid
Show more names
SBB000826EU-0080378ARONIS0028783-chloro-6-methoxy-2-benzothiophenecarboxylic acid3-chloro-6-methoxy-benzothiophene-2-carboxylic acidBenzo[b]thiophene-2-carboxylicacid, 3-chloro-6-methoxy-JR-6480, 3-Chloro-6-methoxybenzo[b]thiophene-2-carboxylic acid, 97%
CBDivE_013580Cambridge id 5245383Oprea1_414770Oprea1_461812SCHEMBL5453267LEAIEMOBUHEQNT-UHFFFAOYSA-NSMSSF-0061090ALBB-000227
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 428.4 · 428.4±40.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 2.39 · 2.39±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
3 records
Compound notes
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