Basic information
- CAS
21998-30-1- Standard SMILES
O=C(O)CC(c1ccccc1)c1ccc(Cl)cc1- InChIKey
CQGBVRBAVJLFOM-UHFFFAOYSA-N- Molecular formula
- C15H13ClO2
- Average molar mass
- 260.71 g/mol
- Monoisotopic mass
- 260.0604073
Names & identifiers
- Preferred name
- 4-Chloro-beta-phenylbenzenepropanoic acid
- IUPAC
- 3-(4-chlorophenyl)-3-phenylpropanoic acid
- English name
- 3-(4-chlorophenyl)-3-phenylpropanoic acid
- Molecular formula
- C15H13ClO2
- Molecular weight
- 260.71552
Names & synonyms
21998-30-1RefChem:2919714-Chloro-beta-phenylbenzenepropanoic acid3-(4-chlorophenyl)-3-phenylpropanoic acidMFCD09889759benzenepropanoic acid, 4-chloro-beta-phenyl-SCHEMBL6002264DTXSID901284476ALBB-009708AKOS005172109HS-45083-(4-chlorophenyl)-3-phenylpropanoicacid
Show more names
3-(4-chlorophenyl)-3-phenyl-propionic acid
SY4892374-Chloro-I(2)-phenylbenzenepropanoic acid3-(4-chlorophenyl)-3-phenylpropionic acidDB-1507303-(4-chlorophenyl)-3-phenyl-propanoic acidCS-0336384H37815F367874
Database identifiers
- CAS
21998-30-1- PubChem CID
- 13543735
- DTXSID
DTXSID901284476
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 391.4 · 391.4±27.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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