4-Chloro-2-(2-thienylethyl)benzoic acid
Basic information
- CAS
4506-49-4- Standard SMILES
O=C(O)c1ccc(Cl)cc1CCc1cccs1- InChIKey
WMASLVZLGDWVPH-UHFFFAOYSA-N- Molecular formula
- C13H11ClO2S
- Average molar mass
- 266.74 g/mol
- Monoisotopic mass
- 266.0168285
Names & identifiers
- Preferred name
- 4-Chloro-2-(2-thienylethyl)benzoic acid
- IUPAC
- 4-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
- English name
- 4-chloro-2-[2-(thiophen-2-yl)ethyl]benzoic acid
- Molecular formula
- C13H11ClO2S
- Molecular weight
- 266.74324
Names & synonyms
4-CHLORO-2-(2-THIENYLETHYL)BENZOIC ACID4506-49-4RefChem:520920666-055-3SCHEMBL8435083AKOS024324163DB-1954784-Chloro-2-[2-(2-thienyl)ethyl]benzoic acid4-chloro-2-[2-(thiophen-2-yl)ethyl]benzoic acid
Database identifiers
- CAS
4506-49-4- PubChem CID
- 3622909
- EC Number
- 666-055-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · 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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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