4-Isopropylbiphenyl

HCID 23503

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Basic information

CAS: 7116-95-2
Standard SMILES: CC(C)c1ccc(-c2ccccc2)cc1
InChIKey: KWSHGRJUSUJPQD-UHFFFAOYSA-N
Molecular formula: C15H16
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.12520051

Overview

RN given refers to isopropylbiphenyl

Names & identifiers

Preferred name: 4-Isopropylbiphenyl
IUPAC: 1-phenyl-4-propan-2-ylbenzene
English name: 4-Isopropylbiphenyl
Molecular formula: C15H16
Molecular weight: 196.29

Names & synonyms

4-Isopropylbiphenyl7116-95-2BIPHENYL, 4-ISOPROPYL-1,1'-Biphenyl, 4-(1-methylethyl)-4KBV29724IDTXSID20883094RefChem:524337DTXCID107881230-420-1p-Isopropyldiphenyl4-Phenylcumene1-phenyl-4-propan-2-ylbenzene

Show more names

4-isopropyl-biphenybiphenyl,4-isopropyl-4-ISOPROPYLBIPHENYL 96+%

4-Isopropyl-1,1'-biphenylMFCD002217181-isopropyl-4-phenyl-benzeneEINECS 230-420-1BRN 1858288UNII-4KBV29724Ip-isopropylbiphenyl4-(Propan-2-yl)-1,1'-biphenyl

Database identifiers

CAS: 7116-95-2
PubChem CID: 23503
DTXSID: DTXSID20883094
UNII: 4KBV29724I
EC Number: 230-420-1
Nikkaji: J227.381K

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 168

Physicochemical properties

Melting point: 11 °C · 11°C
Boiling point: 110 · 110-112°C 1mm
Density: 1 · 1,461 g/cm3
refractive index: 1.584 · 1.5840
Flash point: 110 · 110-112°C/1mm
form: powder to lump to clear liquid
color: White or Colorless to Light yellow
BRN: 1858288 · 1858288
Henry's Law Constant: 4.2 · 4.2×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
LogP: 5.51 · 5.510
CAS DataBase Reference: 7116 · 7116-95-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 4 KBV29724I · 4KBV29724I
NIST Chemistry Reference: 1 · 1,1'-Biphenyl, 4-(1-methylethyl)-(7116-95-2)
EPA Substance Registry System: 1 · 1,1'-Biphenyl, 4-(1-methylethyl)- (7116-95-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
RTECS: 5415000 · DV5415000
HS Code: 29029090 · 29029090

Safety & regulation

Hazard information

Regulatory InformationChemical: 1,1'-Biphenyl, 4-(1-methylethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

rtecs: DV5415000
hs_code: 29029090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1,1'-Biphenyl, 3,3'-bis(1-methylethyl)-2-(4-Biphenylyl)-2-propanol 3-Isopropylbiphenyl 1-Iodo-4-isopropylbenzene 4,4'-Diisopropylbiphenyl Phosphoric acid, 4-(1-methylethyl)phenyl diphenyl ester 3,4'-Di-iso-propylbiphenyl 4-Propylbiphenyl 4-Chlorobiphenyl 4-chlorocumene 2-Propylzinc bromide solution 0.5M in t&4-Bromocumene

Downstream products

4-Phenylphenol 2,2-Dimethyl-1,3-dioxane-4,6-dione

Suppliers44 total

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

临沂锎源化学科技有限公司13188735557 · [email protected]

郑州海阔光电材料有限公司67759225 13526468238 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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