2,2'-Dimethylbiphenyl

HCID 11797

Notes Reactions

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Basic information

CAS: 605-39-0
Standard SMILES: Cc1ccccc1-c1ccccc1C
InChIKey: ABMKWMASVFVTMD-UHFFFAOYSA-N
Molecular formula: C14H14
Average molar mass: 182.26 g/mol
Monoisotopic mass: 182.10955045

Names & identifiers

Preferred name: 2,2'-Dimethylbiphenyl
IUPAC: 1-methyl-2-(2-methylphenyl)benzene
English name: 2,2'-Dimethylbiphenyl
Molecular formula: C14H14
Molecular weight: 182.26

Names & synonyms

2,2'-Dimethylbiphenyl605-39-02,2'-DIMETHYL-1,1'-BIPHENYL1,1'-Biphenyl, 2,2'-dimethyl-o,o'-Bitolyl2,2'-Bitolyl2,2'-Ditolyl1-Methyl-2-(2'-methylphenyl)benzeneP9P5OL2E2JNSC 90724NSC-90724DTXSID7060540

Show more names

2,2’-ditolyldimethylbiphenylDiMethylbiphenyl,95%2,2’-dimethyl-1’-biphenyl2,2'-Dimethylbiphenyl >

o,o'-Bitolyl (8CI)RefChem:440286DTXCID60428161-methyl-2-(2-methylphenyl)benzeneMFCD000480751,1'-Binaphthalene, 2,2'-dimethyl-, (1S)-2,2/'-Dimethylbiphenylo,o'-Bitoluene

Database identifiers

CAS: 605-39-0
PubChem CID: 11797
DTXSID: DTXSID7060540
UNII: P9P5OL2E2J
Nikkaji: J166.103E、J6.821G

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 153

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 18 °C · 18°C
Boiling point: 259 °C · 259 °C
Density: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5745(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Storage temp. 2-8°C
form: clear liquid
color: Colorless to Light yellow to Light red
InChI: InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey: ABMKWMASVFVTMD-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2C)=CC=CC=C1C
FDA UNII: 9 P5OL2E2J · P9P5OL2E2J
EPA Substance Registry System: 1 · 1,1'-Biphenyl, 2,2'-dimethyl- (605-39-0)
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2902900000 · 2902900000

Safety & regulation

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 2902900000

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,1'-Biphenyl, 2,2'-dimethyl-: ACTIVE

Upstream & downstream products

Upstream raw materials

2-Tolylboronic acid 2-Chlorotoluene Bromoacetonitrile 2-Methylbenzyl cyanide

Downstream products

9,10-DibromoPhenanthrene 5,5'-Diiodo-2,2'-dimethylbiphenyl

Suppliers78 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [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]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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

Related reactions

17 records

New reaction record

HRID 41288 reaction equation

HRID 41288As reactantuspto-grants-2013_09

HRID 412819 reaction equation

HRID 412819As productuspto-grants-2003_05

HRID 1387704 reaction equation

HRID 1387704As productuspto-grants-2001_07

HRID 1493108 reaction equation

HRID 1493108As productuspto-grants-1991_06

HRID 1493109 reaction equation

HRID 1493109As productuspto-grants-1991_06

HRID 1494856 reaction equation

HRID 1494856As productuspto-grants-1991_06

HRID 1543931 reaction equation

HRID 1543931As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1729483 reaction equation

HRID 1729483As productuspto-grants-1994_07

Compound notes

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