3-Methylbiphenyl

HCID 12564
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Basic information

CAS
643-93-6
Standard SMILES
Cc1cccc(-c2ccccc2)c1
InChIKey
NPDIDUXTRAITDE-UHFFFAOYSA-N
Molecular formula
C13H12
Average molar mass
168.23 g/mol
Monoisotopic mass
168.09390038

Names & identifiers

Preferred name
3-Methylbiphenyl
IUPAC
1-methyl-3-phenylbenzene
English name
3-Phenyltoluene
Molecular formula
C13H12
Molecular weight
168.23

Names & synonyms

3-Methylbiphenyl643-93-63-Phenyltoluene1,1'-Biphenyl, 3-methyl-3-Methyldiphenylm-PhenyltolueneBiphenyl, 3-methyl-m-Methylbiphenyl(3-Methylphenyl)benzeneUNII-KFP6EO4J6PKFP6EO4J6PEINECS 211-404-3
Show more names
FEMA 31863-METHYL-1,1'-BIPHENYL3-Methylbiphenybiphenyl,3-methyl-
DTXSID40609413PhenyltolueneRefChem:948421,1'Biphenyl, 3methylDTXCID2044268211-404-3InChI=1/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1HNPDIDUXTRAITDE-UHFFFAOYSA-N

Database identifiers

CAS
643-93-6
PubChem CID
12564
DTXSID
DTXSID4060941
UNII
KFP6EO4J6P
EC Number
211-404-3
Nikkaji
J105.831B

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
13

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesDensity
Vapor Pressure0.00796 [mmHg]
Physical DescriptionLiquid; mp = 4-5 deg C; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
4 · 4-5 °C(lit.)
Boiling point
272 °C · 272 °C(lit.)
Density
1.018 g/mL · 1.018 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.602(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

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 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1,1'-Biphenyl, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Biphenyl.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29029090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,1'-Biphenyl, 3-methyl-: ACTIVE

Applications

Uses3-Methyl-1,1''biphenyl is a useful reagent for organic and pharmaceutical synthesis.

Upstream & downstream products

Downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [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]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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