2,4,6-Trimethylbiphenyl

HCID 19876

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Basic information

CAS: 3976-35-0
Standard SMILES: Cc1cc(C)c(-c2ccccc2)c(C)c1
InChIKey: CDKUYUULLQLNFF-UHFFFAOYSA-N
Molecular formula: C15H16
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.12520051

Names & identifiers

Preferred name: 2,4,6-Trimethylbiphenyl
IUPAC: 1,3,5-trimethyl-2-phenylbenzene
English name: 2,4,6-Trimethyl-1,1'-biphenyl
Molecular formula: C15H16
Molecular weight: 196.28754

Names & synonyms

2,4,6-TRIMETHYLBIPHENYL3976-35-0DTXSID301928411,1'-Biphenyl, 2,4,6-trimethyl-RefChem:82148DTXCID70115332CDKUYUULLQLNFF-UHFFFAOYSA-N1,3,5-trimethyl-2-phenylbenzene2,4,6-trimethyl-1,1'-biphenylPhenyl-mesitylenSCHEMBL1070016SCHEMBL1070019

Show more names

SCHEMBL1133458SCHEMBL1369576SCHEMBL20186251,3,5-trimethyl-2-phenyl-benzeneMFCD00715748AKOS037621573HS-6256DB-355176

Database identifiers

CAS: 3976-35-0
PubChem CID: 19876
DTXSID: DTXSID30192841
EC Number: 859-397-1
Nikkaji: J898.543J

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 178

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H412-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315-H412-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501-P264-P270-P301+P312-P330-P501