4-Acetylbiphenyl (HCID 7113)

Names & identifiers

Preferred name: 4-Acetylbiphenyl
IUPAC: 1-(4-phenylphenyl)ethanone
English name: 4-Acetylbiphenyl
Molecular formula: C14H12O
Molecular weight: 196.24

Names & synonyms

4-ACETYLBIPHENYL4'-Phenylacetophenone4-Phenylacetophenone4-Biphenylyl methyl ketoneEthanone, 1-[1,1'-biphenyl]-4-yl-4'-ACETYLBIPHENYLBiphenyl-4-acetophenone4-Phenyl-acetophenon4-Phenyl-acetophenoneDTXSID6052619PX5XEZ9DQDEthanone, 1-(1,1'-biphenyl)-4-yl-

Show more names

TMBAMESITOIC ACIDACETYLBIPHENYL4-BIPHENYL METHYL KETONE1-Biphenyl-4-yl-ethanoneAKOS 90586AKOS BAR-1322AcetodiphenylAURORA KA-7298

1-Acetyl-4-phenylbenzeneEINECS 202-202-6BRN 1101615AI3-00897NSC-18754-Diphenyl methyl ketonep-Biphenylyl methyl ketoneACETOPHENONE, P-PHENYL-

Database identifiers

CAS: 92-91-1
PubChem CID: 7113
DTXSID: DTXSID6052619
ChEMBL: CHEMBL1522504
UNII: PX5XEZ9DQD
EC Number: 202-202-6
Nikkaji: J39.596J

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 207

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 152 · 152-155 °C(lit.)
Boiling point: 325 · 325-327 °C
Density: 1.251 · 1.2510
refractive index: 1.592 · 1.5920 (estimate)
Flash point: 168 °C/8mm · 168°C/8mm
storage temp.: 2 · 2-8°C
solubility: 10 mg/200microlitres, · chloroform: soluble10mg/200microlitres, clear, colorless to faintly yellow
form: Solid
color: White to Green to Brown
Water Solubility: insoluble
BRN: 1101615 · 1101615
InChI: InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey: QCZZSANNLWPGEA-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)C
CAS DataBase Reference: 92 · 92-91-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 XEZ9DQD · PX5XEZ9DQD
NIST Chemistry Reference: 1 · Ethanone, 1-[1,1'-biphenyl]-4-yl-(92-91-1)
EPA Substance Registry System: 1 · Ethanone, 1-[1,1'-biphenyl]-4-yl- (92-91-1)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
RTECS: 887010 · DI0887010
TSCA: TSCA listed
HS Code: 29143900 · 29143900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationEthanone, 1-[1,1'-biphenyl]-4-yl-: 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
tsca: TSCA listed
rtecs: DI0887010
hs_code: 29143900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25-36-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-[1,1'-biphenyl]-4-yl-: ACTIVE

Applications · 3 items

Uses4-Acetylbiphenyl is involved in the study of inactivation of 7-ethoxy-4-trifluoromethylcoumarin ortho-deethylase activity by various arylalkynes. Further, it is used in the preparation of Schiffs base.

Uses4-Acetylbiphenyl was used to study the inactivation of 7-ethoxy-4-trifluoromethylcoumarin O-deethylase activity by various arylalkynes. It may be used in the synthesis of Schiffs base.

UsesIntermediates of Liquid Crystals

Upstream & downstream products

Upstream raw materials

Downstream products

5-(4-Phenyl-phenyl)thieno[2,3-d]pyrimidin-4(3H)-one ,97%Ethyl 2-amino-4-[1,1'-biphenyl]-4-yl-3-thiophenecarboxylate 4-Biphenylcarbonyl chloride 2-Propen-1-one, 1-[1,1'-biphenyl]-4-yl-3-(3,4-dimethoxyphenyl)-(2E)-1-{[1,1-biphenyl]-4-yl}-3-(4-bromophenyl)prop-2-en-1-one 1-[1,1'-Biphenyl]-4-ylethenyl Ester 1-Piperidinecarboxylic Acid 2-([1,1'-biphenyl]-4-yl)-2-oxoacetic acid 3-Biphenyl-4-yl-3-oxo-propionic acid ethyl ester

Suppliers50 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]

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]

陕西仁恒益德生物科技有限公司15319940549 15319940549 · [email protected]

Related reactions

34 records

New reaction record

HRID 67137As reactantuspto-grants-1982_08

HRID 118317As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 213077As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 308695As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 368917As productuspto-grants-2000_10

HRID 437921As reactantuspto-grants-1977_06

HRID 437923As reactantuspto-grants-1977_06

HRID 672515As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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Basic information