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401-79-6

401-79-6 Structure

401-79-6 Structure
IdentificationMore
[Name]

3-METHYLBENZOTRIFLUORIDE
[CAS]

401-79-6
[Synonyms]

1-METHYL-3-TRIFLUOROMETHYL-BENZENE
3-METHYLBENZOTRIFLUORIDE
3-(TRIFLUOROMETHYL)TOLUENE
ALPHA,ALPHA,ALPHA-TRIFLUORO-M-XYLENE
m-Xylene, alpha,alpha,alpha-trifluoro-
3-(Trifluoromethyl)toluene~alpha,alpha,alpha-Trifluoro-m-xylene
3-Methylbenzotrifuoride
3-Methylbenzotrifluoride/3-TrifluoromethylToluene/M-Methylbenzotrifluoride
3-Methylbenzotrifluoride,97%
à,à,à-trifluoro-m-xylene
α,α,α-trifluoro-m-xylene
3-Methylbenzotrifluoride 98%
3-Methylbenzotrifluoride98%
m-trifluoromethyl toluene
3-Methyl-α,α,α-trifluorotoluene
[EINECS(EC#)]

626-022-6
[Molecular Formula]

C8H7F3
[MDL Number]

MFCD00190105
[Molecular Weight]

160.14
[MOL File]

401-79-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

130 °C (lit.)
[density ]

1.148 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.427(lit.)
[Fp ]

80 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.148
[BRN ]

1938201
[InChIKey]

VJYXZJGDFJJDGF-UHFFFAOYSA-N
[CAS DataBase Reference]

401-79-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R10:Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Flammable
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2903998090
Hazard InformationBack Directory
[Uses]

3-Methylbenzotrifluoride is a halogenated organic compound that is a structural component of Nek7 inhibitors, which are used in the preparation of anticancer drugs.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYLBENZOTRIFLUORIDE(401-79-6)1HNMR
3-METHYLBENZOTRIFLUORIDE(401-79-6)19FNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methylbenzotrifluoride, 97%(401-79-6)
[Sigma Aldrich]

401-79-6(sigmaaldrich)
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