4-Methylbenzotrifluoride

HCID 80230

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Basic information

CAS: 6140-17-6
Standard SMILES: Cc1ccc(C(F)(F)F)cc1
InChIKey: LRLRAYMYEXQKID-UHFFFAOYSA-N
Molecular formula: C8H7F3
Average molar mass: 160.14 g/mol
Monoisotopic mass: 160.04998488

Names & identifiers

Preferred name: 4-Methylbenzotrifluoride
IUPAC: 1-methyl-4-(trifluoromethyl)benzene
English name: 4-Methylbenzotrifluoride
Molecular formula: C8H7F3
Molecular weight: 160.14

Names & synonyms

4-Methylbenzotrifluoride6140-17-61-methyl-4-(trifluoromethyl)benzenep-methylbenzotrifluoridealpha,alpha,alpha-Trifluoro-p-xyleneBenzene, 1-methyl-4-(trifluoromethyl)-EINECS 228-124-2JH7JBW374Bp-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-DTXSID10210335RefChem:525554DTXCID10132826

Show more names

4-MethylbenzotrifluoMethyl trifluoroMethyl4-METHYLBENZTRIFLUORIDE4-MethylbenzotrifuorideMethyl benzotrifluorideα,α,α-trifluoro-p-xylene

p-Xylene, alpha,alpha,alpha-trifluoro-228-124-24-(trifluoromethyl)tolueneMFCD000754764-Trifluoromethyltoluene4-methyl-1-(trifluoromethyl)benzenep-trifluoromethyltolueneUNII-JH7JBW374B

Database identifiers

CAS: 6140-17-6
PubChem CID: 80230
DTXSID: DTXSID10210335
UNII: JH7JBW374B
EC Number: 228-124-2
Nikkaji: J104.486I

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 129 · 129-130 °C
Boiling point: 129 °C · 129 °C(lit.)
Density: 1.144 g/mL · 1.144 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.426(lit.)
Flash point: 81 °F · 81 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.144 · 1.144
color: Clear colorless
BRN: 1863596 · 1863596
CAS DataBase Reference: 6140 · 6140-17-6(CAS DataBase Reference)
FDA UNII: 7 JBW374B · JH7JBW374B
NIST Chemistry Reference: 1 · Benzene, 1-methyl-4-(trifluoromethyl)-(6140-17-6)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xi,F
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39-37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Flammable
TSCA: T
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29039990 · 29039990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk: 3
tsca: T
ridadr: UN 1993 3/PG 3
hs_code: 29039990
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 16-26-36/37/39-37/39
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Precautionary statements: P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a