2-(4-Chlorophenyl)-2-phenylacetic acid
Basic information
- CAS
21771-88-0- Standard SMILES
O=C(O)C(c1ccccc1)c1ccc(Cl)cc1- InChIKey
YSPUGNBNEKEGKB-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-phenylacetic acid
- IUPAC
- 2-(4-chlorophenyl)-2-phenylacetic acid
- English name
- 2-(4-Chlorophenyl)-2-phenylacetic acid
- Molecular formula
- C14H11ClO2
- Molecular weight
- 246.69
Names & synonyms
2-(4-Chlorophenyl)-2-phenylacetic acid21771-88-0DTXSID50404574RefChem:252187DTXCID20355428MFCD01631956(4-chlorophenyl)(phenyl)acetic acid2-(4-Chlorophenyl)-2-Phenylaceticacid2-(4-chlorophenyl)-2-phenyl-acetic AcidBenzeneacetic acid,4-chloro-alpha-phenyl-F2148-0239SCHEMBL9337191
Show more names
Benzeneacetic acid, 4-chloro-α-phenyl-
AR3866AKOS022218235SY204710CS-0073145EN300-239899F306616Z1720542300
Database identifiers
- CAS
21771-88-0- PubChem CID
- 4586574
- DTXSID
DTXSID50404574- EC Number
- 981-261-6
- Nikkaji
- J2.285.259K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: benzene (71-43-2))
- Boiling point
- 379 · 379.0±27.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±0.10(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2916399090 · 2916399090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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