Di-p-tolyl

HCID 11941

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 613-33-2
Standard SMILES: Cc1ccc(-c2ccc(C)cc2)cc1
InChIKey: RZTDESRVPFKCBH-UHFFFAOYSA-N
Molecular formula: C14H14
Average molar mass: 182.26 g/mol
Monoisotopic mass: 182.10955045

Names & identifiers

Preferred name: Di-p-tolyl
IUPAC: 1-methyl-4-(4-methylphenyl)benzene
English name: 4,4'-Dimethylbiphenyl
Molecular formula: C14H14
Molecular weight: 182.26

Names & synonyms

4,4'-DIMETHYLBIPHENYL613-33-2Di-p-tolylDTXSID302101955J314QOJ2VNSC-90464RefChem:96273DTXCID30132686210-337-74,4'-Dimethyldiphenyl4,4'-Dimethyl-1,1'-biphenyl4,4'-Bitolyl

Show more names

p,p'-Ditolyl4,4'-BITOLUENE-Dimethylbiphenyl

Bi-p-tolylp,p'-Bitolyl1,1'-Biphenyl, 4,4'-dimethyl-1-methyl-4-(4-methylphenyl)benzene4,4'-Ditolylp,p'-BitolueneMFCD00008545DIMETHYLBIPHENYL

Database identifiers

CAS: 613-33-2
PubChem CID: 11941
DTXSID: DTXSID30210195
UNII: 5J314QOJ2V
EC Number: 210-337-7
Nikkaji: J47.064C

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 137

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1583；1619；1583；1594

1596.8；1607.6；1614.2；1596.8；1607.6；1614.2；1616；1590；1587.8；277；270.6；277.49；274.5；274.5；274.44；274.59；274.08；274.59

2221；2236；2281

Physicochemical properties

Melting point: 118 · 118-120 °C(lit.)
Boiling point: 295 °C · 295 °C(lit.)
Density: 0.917 · 0.9170
refractive index: 1.5811 · 1.5811 (estimate)
Flash point: 295 °C · 295°C
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
color: White to light yellow
Water Solubility: Insoluble in water.
BRN: 1856053 · 1856053
InChI: InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey: RZTDESRVPFKCBH-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C)C=C2)=CC=C(C)C=C1
LogP: 5.09 · 5.090
CAS DataBase Reference: 613 · 613-33-2(CAS DataBase Reference)
FDA UNII: 5 J314QOJ2V · 5J314QOJ2V
NIST Chemistry Reference: 4 · 4,4'-Dimethylbiphenyl(613-33-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 29029090 · 29029090
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Inactive

Safety & regulation

Hazard information

Regulatory InformationStatus: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22909

Regulatory information

Regulatory InformationStatus: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22909

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29029090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
REACH Registrations: Inactive
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4,4'-Dimethylbiphenyl is used in the preparation of biphenyl-4,4-dicarboxylic acid, which acts as a monomer utilized in the synthesis of linear long chain polymer through polycondensation reaction. It is used to prepare 4-(4'-methylphenyl)benzaldehyde by selective photoxygenation reaction using 9-phenyl-10-methylacridinium perchlorate as a catalyst under visible light irradiation.