Basic information
- CAS
29645-00-9- Standard SMILES
CCC(C(=O)O)c1ccc(Cl)cc1- InChIKey
CVZHTBMFVPENFE-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)butanoic acid
- IUPAC
- 2-(4-chlorophenyl)butanoic acid
- English name
- 2-(4-Chlorophenyl)butanoic acid
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
2-(4-chlorophenyl)butanoic acidDTXSID80952114RefChem:457411DTXCID501380214892-874-229645-00-9MFCD017371962-(p-Chlorophenyl)butyric acidBRN 2097727BUTYRIC ACID, 2-(p-CHLOROPHENYL)-4-Chlorophenylbutyric acid4-09-00-01823 (Beilstein Handbook Reference)
Show more names
4-Chloro-α-ethylbenzeneacetic acidBenzeneacetic acid,4-chloro-a-ethyl-Benzeneacetic acid, 4-chloro-α-ethyl-
2-(4-chlorophenyl)butanoicacidSCHEMBL1742115SCHEMBL95882762-(4-chlorophenyl)butyric acidCVZHTBMFVPENFE-UHFFFAOYSA-NEBA64500alpha-(p-Chlorophenyl)-butyric acidAKOS011680831
Database identifiers
- CAS
29645-00-9- PubChem CID
- 34658
- DTXSID
DTXSID80952114- EC Number
- 892-874-2
- Nikkaji
- J77.581I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 83 · 83-85 °C
- Boiling point
- 311.3 · 311.3±17.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.21 · 4.21±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
4 records
Compound notes
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