Basic information
- CAS
23062-42-2- Standard SMILES
O=C(O)c1cscc1-c1ccccc1- InChIKey
ZNTFBJWDGATWSI-UHFFFAOYSA-N- Molecular formula
- C11H8O2S
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.02450067
Names & identifiers
- Preferred name
- 4-Phenylthiophene-3-carboxylic acid
- IUPAC
- 4-phenylthiophene-3-carboxylic acid
- English name
- 4-phenylthiophene-3-carboxylic acid
- Molecular formula
- C11H8O2S
- Molecular weight
- 204.24
Names & synonyms
4-phenylthiophene-3-carboxylic acidDTXSID80302216RefChem:526461DTXCID80253350855-803-623062-42-23-Thiophenecarboxylic acid, 4-phenyl-4-Phenyl-3-thiophenecarboxylic acidMFCD01927369NSC149722SCHEMBL96743864-phenylthiophene-3-carboxylicacid
Show more names
YAA06242AC5682AKOS004115524NSC 149722NSC-149722SY034104DB-219030EN300-213687
Database identifiers
- CAS
23062-42-2- PubChem CID
- 288508
- DTXSID
DTXSID80302216- EC Number
- 855-803-6
- Nikkaji
- J1.512.545D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 207 · 207-208 °C
- Boiling point
- 315.5 · 315.5±22.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.03 · 4.03±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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