Basic information
- CAS
42797-18-2- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1- InChIKey
NBYNVBRXIUUSIG-UHFFFAOYSA-N- Molecular formula
- C20H14O3
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.0942943
Names & identifiers
- Preferred name
- Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
- IUPAC
- 2-(4-phenylbenzoyl)benzoic acid
- English name
- o-(4-Biphenylylcarbonyl)benzoic acid
- Molecular formula
- C20H14O3
- Molecular weight
- 302.32
Names & synonyms
o-(4-Biphenylylcarbonyl)benzoic acid2-(4-BIPHENYLYLCARBONYL)BENZOIC ACID2-(4-phenylbenzoyl)benzoic acido-(4-Phenylbenzoyl)benzoic acidNSC 75270BRN 2658548AI3-17641Benzoic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)-EC 700-862-43-10-00-03455 (Beilstein Handbook Reference)Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-RefChem:565325
Show more names
o-(4-Biphenylylcarbonyl)2-(4-Phenylbenzoyl)benzoic acid (4BB)2-(biphenyl-4-ylcarbonyl)benzoic acidO-(1,1'-diphenyl-4-carbonyl)benzoic acid2-(4-Biphenylylcarbonyl)benzoic Acid >2-[(4-phenylphenyl)carbonyl]benzoic acido-(1,1'-Biphenyl-4-ylcarbonyl)benzoic acid
700-862-442797-18-2MFCD003923682-([1,1'-biphenyl]-4-carbonyl)benzoic acidNSC-75270BENZOIC ACID, o-(4-BIPHENYLYLCARBONYL)-CHEMBL13339822-{[1,1'-BIPHENYL]-4-CARBONYL}BENZOIC ACID
Database identifiers
- CAS
42797-18-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 225 · 225-227℃
- Boiling point
- 539.3 · 539.3±43.0 °C(Predicted)
- Density
- 1.232 · 1.232
- vapor pressure
- 0 · 0-0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.34 · 3.34±0.36(Predicted)
- form
- Solid:particulate/powder
- color
- White to Almost white
- LogP
- 1.78 at · 1.78 at 25℃
- EPA Substance Registry System
- 2 · Benzoic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)- (42797-18-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- RTECS
- 4375000 · DG4375000
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
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-(4-Phenylbenzoyl)benzoic acid (EC: 700-862-4)
Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)
Safety data
- tsca
- TSCA listed
- rtecs
- DG4375000
- hs_code
- 2918.30.9000
- Toxicity
- mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 107, 1952.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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