Basic information
- CAS
1622-54-4- Standard SMILES
O=C(O)c1ccccc1CCc1cccs1- InChIKey
BYSDXOIAAYZTBJ-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- 2-[2-(2-Thienyl)ethyl]benzoic acid
- IUPAC
- 2-(2-thiophen-2-ylethyl)benzoic acid
- English name
- 2-[2-(2-thienyl)ethyl]benzoic acid
- Molecular formula
- C13H12O2S
- Molecular weight
- 232.3
Names & synonyms
1622-54-42-[2-(2-thienyl)ethyl]benzoic acid2-(2-(2-Thienyl)ethyl)benzoic acidDTXSID00167329EINECS 216-595-7RefChem:83965DTXCID8089820216-595-72-(2-(Thiophen-2-yl)ethyl)benzoic acid2-(2-thiophen-2-ylethyl)benzoic acid2-[2-(THIOPHEN-2-YL)ETHYL]BENZOIC ACIDMFCD00101206
Show more names
2-(2-(Thiophen-2-yl)ethyl)benzoicacidBenzoic acid, 2-[2-(2-thienyl)ethyl]-E84097FT-07548888R52DT6ELHA882979SCHEMBL29021977BYSDXOIAAYZTBJ-UHFFFAOYSA-N
Database identifiers
- CAS
1622-54-4- PubChem CID
- 74186
- DTXSID
DTXSID00167329- UNII
- 8R52DT6ELH
- EC Number
- 216-595-7
- Nikkaji
- J195.248J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 110 · 110-111℃
- Boiling point
- 361.8 · 361.8±22.0 °C(Predicted)
- Density
- 1.255 · 1.255
- storage temp.
- 2 · 2-8°C
- pka
- 4.08 · 4.08±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Applications
Uses2-[2-(2-thienyl)ethyl]benzoic acid is an intermediates of phenothiidine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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