2-((4-Chlorophenyl)acetyl)benzoic acid

HCID 104451

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Basic information

CAS: 53242-76-5
Standard SMILES: O=C(O)c1ccccc1C(=O)Cc1ccc(Cl)cc1
InChIKey: BDSINYHJZLINDJ-UHFFFAOYSA-N
Molecular formula: C15H11ClO3
Average molar mass: 274.7 g/mol
Monoisotopic mass: 274.0396719

Names & identifiers

Preferred name: 2-((4-Chlorophenyl)acetyl)benzoic acid
IUPAC: 2-[2-(4-chlorophenyl)acetyl]benzoic acid
English name: 2-((4-Chlorophenyl)acetyl)benzoic acid
Molecular formula: C15H11ClO3
Molecular weight: 274.7

Names & synonyms

53242-76-52-(2-(4-Chlorophenyl)acetyl)benzoic acid2-((4-Chlorophenyl)acetyl)benzoic acid2-[2-(4-chlorophenyl)acetyl]benzoic acid2-[(4-chlorophenyl)acetyl]benzoic acidBenzoic acid, 2-[(4-chlorophenyl)acetyl]-EINECS 258-444-8Chlorophenylacetylbenzoic Acid32I72UN2JYDTXSID902013422-(P-CHLOROPHENYLACETYL)BENZOIC ACIDBenzoic acid, 2-((4-chlorophenyl)acetyl)-

Show more names

2-[2-(4-chlorAZELASTINE EP IMP CAzelastine Impurity CAzelastine EP IMpurity CAzelastine HCl EP Impurity C2-(p-Chlorphenacetyl)-Benzoesaeure2-(4-CHLOROPHENYLACETO)BENZOIC ACID2-[(4-Chlorophenyl)acetyl]benzoic A

BENZOIC ACID, 2-(2-(4-CHLOROPHENYL)ACETYL)-CHLOROPHENYLACETYLBENZOIC ACID (USP IMPURITY)CHLOROPHENYLACETYLBENZOIC ACID [USP IMPURITY]AZELASTINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)AZELASTINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]RefChem:449017DTXCID90123833258-444-8

Database identifiers

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 334

Physicochemical properties

Melting point: 137 · 137-141°C
Boiling point: 456.8 · 456.8±30.0 °C(Predicted)
Density: 1.332 · 1.332±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 3.36 · 3.36±0.36(Predicted)
form: Solid
color: White to Off-White
InChI: InChI=1S/C15H11ClO3/c16-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)
InChIKey: BDSINYHJZLINDJ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC=C1C(CC1=CC=C(Cl)C=C1)=O
CAS DataBase Reference: 53242 · 53242-76-5(CAS DataBase Reference)
FDA UNII: 32 I72UN2JY · 32I72UN2JY
Symbol(GHS): 7 · GHS07
Signal word: Warning

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 · 5 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (60%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-[(4-Chlorophenyl)acetyl]benzoic Acid is an impurity of Azelastine (A808250).

Uses2-[(4-Chlorophenyl)acetyl]benzoic Acid (Azelastine EP Impurity C) is an impurity of Azelastine (A808250).

Upstream & downstream products

Upstream raw materials

Suppliers100 total

济南百隆化学有限公司[email protected] · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Related reactions

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Compound notes

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