4-Methyl-3-nitrobenzotrifluoride

HCID 1472885

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Basic information

CAS: 65754-26-9
Standard SMILES: Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey: VFERJFHPHSUIHY-UHFFFAOYSA-N
Molecular formula: C8H6F3NO2
Average molar mass: 205.13 g/mol
Monoisotopic mass: 205.03506292

Names & identifiers

Preferred name: 4-Methyl-3-nitrobenzotrifluoride
IUPAC: 1-methyl-2-nitro-4-(trifluoromethyl)benzene
English name: 4-METHYL-3-NITROBENZOTRIFLUORIDE
Molecular formula: C8H6F3NO2
Molecular weight: 205.13

Names & synonyms

4-Methyl-3-nitrobenzotrifluorideRefChem:525252640-338-11-methyl-2-nitro-4-(trifluoromethyl)benzene65754-26-92-Nitro-4-(trifluoromethyl)tolueneMFCD00272402Benzene, 1-methyl-2-nitro-4-(trifluoromethyl)-2-NITRO-4-TRIFLUOROMETHYLTOLUENE2-Methyl-5-trifluoromethylnitrobenzeneE2PPF448XMorb3029318

Show more names

4-METHYL-3-NITROBENZOTRIFLUORIDE ISO 9001：2015 REACH1-methyl-2-nitro-4-(trifluoromethyl)benzene - [M87178]

SCHEMBL3976560SCHEMBL44160182-nitro-4-trifluromethyltolueneSCHEMBL16859668SCHEMBL16859669DTXSID10363017PDK03242-Nitro-4- trifluoromethyltoluene

Database identifiers

CAS: 65754-26-9
PubChem CID: 1472885
DTXSID: DTXSID10363017
UNII: E2PPF448XM
EC Number: 640-338-1
Nikkaji: J753.722K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 224

Physicochemical properties

Boiling point: 206.6 · 206.6±35.0℃ (760 Torr)
Density: 1.357 · 1.357±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 78.8 · 78.8±25.9℃
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Clear
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Note: Harmful
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.