Basic information
- CAS
40133-14-0- Standard SMILES
O=C(O)c1ccc(-c2ccc(Cl)cc2)s1- InChIKey
GWLCYLPZQKOCTB-UHFFFAOYSA-N- Molecular formula
- C11H7ClO2S
- Average molar mass
- 238.69 g/mol
- Monoisotopic mass
- 237.98552814
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)thiophene-2-carboxylic acid
- IUPAC
- 5-(4-chlorophenyl)thiophene-2-carboxylic acid
- English name
- 5-(4-Chlorophenyl)thiophene-2-carboxylic acid
- Molecular formula
- C11H7ClO2S
- Molecular weight
- 238.69
Names & synonyms
5-(4-Chlorophenyl)thiophene-2-carboxylic acid40133-14-0DTXSID20346593RefChem:530304DTXCID50297665999-093-7MFCD002064355-(4-chlorophenyl)-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 5-(4-chlorophenyl)-SCHEMBL1144473SBB077811STK894704
Show more names
JR-8022, 5-(4-Chlorophenyl)thiophene-2-carboxylic acid, 97%
AKOS000352544AT23719NCGC00323116-01BS-13998SY034515DB-069951CS-0206166EN300-11100
Database identifiers
- CAS
40133-14-0- PubChem CID
- 613486
- DTXSID
DTXSID20346593- EC Number
- 999-093-7
- Nikkaji
- J3.083.237J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 254 °C · 254 °C
- Boiling point
- 418.7 · 418.7±35.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.39 · 3.39±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
韶远科技(上海)有限公司4000665055 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
上海恬枫生物科技有限公司
Related reactions
7 records
Compound notes
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