4-Benzoylbenzoic acid (HCID 69147)

Names & identifiers

Preferred name: 4-Benzoylbenzoic acid
IUPAC: 4-benzoylbenzoic acid
English name: 4-Bromobenzhydrol
Molecular formula: C14H10O3
Molecular weight: 226.23

Names & synonyms

4-Benzoylbenzoic acid611-95-0p-Benzoylbenzoic acidBenzoic acid, 4-benzoyl-Benzoic acid, p-benzoyl-DTXSID60209996NSC-37115GWF8XRR32JRefChem:518428DTXCID10132487210-286-04-Carboxybenzophenone

Show more names

P-BROMOBENZHYDROL4-benzoylbenzoate4-BromobenzhydrolBenzoylbenzoicacidRARECHEM AL BO 0331LABOTEST-BB LT001594674-CARBOXY BENZOPHENONE

Benzophenone-4-carboxylic acid4-(phenylcarbonyl)benzoic acidMFCD00002560SCHEMBL81964NSC37115AKOS001115838CS-W022083SY010808

Database identifiers

CAS: 611-95-0
PubChem CID: 69147
DTXSID: DTXSID60209996
ChEMBL: CHEMBL192648
UNII: GWF8XRR32J
EC Number: 210-286-0
Nikkaji: J95.765H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 284

Physicochemical properties

Melting point: 198 · 198-200 °C (lit.)
Boiling point: 327.84 °C · 327.84°C (rough estimate)
Density: 1.2022 · 1.2022 (rough estimate)
refractive index: 1.5767 · 1.5767 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 3.79 · 3.79±0.10(Predicted)
color: White to light beige
Water Solubility: It is soluble in water (partly).
BRN: 1960224 · 1960224
Stability: Stable. Incompatible with strong bases, strong oxidizing agents.
InChI: InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
InChIKey: IFQUPKAISSPFTE-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1
CAS DataBase Reference: 611 · 611-95-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-36-26-37/39
WGK Germany: 3 · 3
RTECS: 3650000 · DG3650000
Hazard Note: Irritant
HS Code: 29145090 · 29145090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzoic acid, 4-benzoyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: DG3650000
hs_code: 29145090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25-36-26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses4-Benzoylbenzoic acid,is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field etc.

Uses4-Benzoylbenzoic acid, along with methacrylic acid can be used as ligands for synthesizing a novel Tb(III) ternary complex with luminescent property.

General Description4-Benzoylbenzoic acid is a benzophenone derivative. It can undergo hydrogenolysis to 4-benzylbenzoic acid. Cotton fabrics incorporated with 4-benzoylbenzoic acid have shown pesticide degradation ability, when exposed to UV irradiation.