CAS 92-92-2 (1,1'-Biphenyl)-4-carboxylic acid (HCID 66724)

Overview

RN given refers to 4-carboxylic cpd

Names & identifiers

Preferred name: (1,1'-Biphenyl)-4-carboxylic acid
IUPAC: 4-phenylbenzoic acid
English name: 4-Biphenylcarboxylic acid
Molecular formula: C13H10O2
Molecular weight: 198.22

Names & synonyms

4-Biphenylcarboxylic acid92-92-24-Phenylbenzoic acid[1,1'-Biphenyl]-4-carboxylic acid4-Carboxybiphenylp-Phenylbenzoic acidPara phenyl benzoic acid4-Diphenylcarboxylic acid(1,1'-Biphenyl)-4-carboxylic acidNSC-2304036J7VPO67KDTXSID1059074

Show more names

4-phenylbenzoate4-Biphenylcarboxylic4-United acid4-diphenic acid4-CARBOXYDIPHENYLPHENYLBENZOICACID

RefChem:97991DTXCID3048782202-203-1Biphenyl-4-carboxylic acidMFCD00002553NSC 23040Benzoic acid, p-phenyl-Diphenyl-4-carboxylic acid

Database identifiers

CAS: 92-92-2
PubChem CID: 66724
DTXSID: DTXSID1059074
ChEMBL: CHEMBL107057
UNII: 36J7VPO67K
EC Number: 202-203-1
Nikkaji: J39.593E

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 211

Experimental & physicochemical properties

LogP3.75

Physicochemical properties

Melting point: 220 · 220-225 °C(lit.)
Boiling point: 295.53 °C · 295.53°C (rough estimate)
Density: 1.1184 · 1.1184 (rough estimate)
refractive index: 1.5954 · 1.5954 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: 0.03 g/l · 0.03g/l
form: Crystalline Powder
pka: 4.19 · 4.19±0.10(Predicted)
color: White to beige
Water Solubility: Insoluble in water.
BRN: 973519 · 973519
InChI: 1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChIKey: NNJMFJSKMRYHSR-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(cc1)-c2ccccc2
CAS DataBase Reference: 92 · 92-92-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 36 J7VPO67K · 36J7VPO67K
NIST Chemistry Reference: 1 · [1,1'-Biphenyl]-4-carboxylic acid(92-92-2)
EPA Substance Registry System: 1 · [1,1'-Biphenyl]-4-carboxylic acid (92-92-2)
UNSPSC Code: 12352106 · 12352106
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22-51-36-22
Safety Statements: 37 · 37/39-26-36
WGK Germany: 1 · 1
RTECS: 1925100 · DV1925100
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29163900 · 29163900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (25.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24793

Hazard Classes and CategoriesAcute Tox. 4 (25.5%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 1
tsca: TSCA listed
rtecs: DV1925100
hs_code: 29163900
risk_code: 36/37/38-20/21/22-51-36-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 37/39-26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2
Precautionary statements: P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid: ACTIVE

Applications

UsesBiphenyl-4-carboxylic acid is employed in the synthesis, characterization of europium, terbium complexes.

Upstream & downstream products

Upstream raw materials

Downstream products

2-(4-BIPHENYLYL)-5-PHENYL-1,3,4-OXADIAZOLE 4-Biphenylcarbonyl chloride Vat Yellow 33 4-Aminobiphenyl 2,5-BIS(4-BIPHENYLYL)-1,3,4-OXADIAZOLE 2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole 4,4'-DIPHENYLBENZOPHENONE 2-Methoxyphenylacetonitrile 2-Thiopheneacetonitrile 2-Methylbenzyl cyanide disodium 1-[[[1,1'-biphenyl]-4-ylcarbonyl]amino]anthracene-9,10-diyl disulphate 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

198 records

New reaction record

HRID 73817As reactantuspto-grants-2014_09

HRID 90867As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100513As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 114780As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 116767As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118859As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124660As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 151877As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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Basic information