| Identification | More | [Name]
3-Nitrobenzotrifluoride | [CAS]
98-46-4 | [Synonyms]
1-NITRO-3-(TRIFLUOROMETHYL)BENZENE
3-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
3-NITROBENZOTRIFLUORIDE
3-NITROTRIFLUOROTOLUENE
3-(TRIFLUOROMETHYL)NITROBENZENE
A,A,A-TRIFLUORO-M-NITROTOLUENE
alpha,alpha,alpha-trifluoro-3-nitrotoluene
M-NITRO-A,A,A-TRIFLUOROTOLUENE
M-NITROBENZOTRIFLUORIDE
m-Nitrotrifluorotoluene
M-(TRIFLUOROMETHYL)NITROBENZENE
Nitrobenzotrifluoride
1,3-Nitrobenzotrifluoride
1-nitro-3-(trifluoromethyl)-benzen
1-trifluoromethyl-3-nitrobenzene
3-nitro-alpha,alpha,alpha-trifluoro-toluen
alpha,alpha,alpha-trifluoro-m-nitro-toluen
alpha,alpha,alpha-Trifluoro-m-nitrotoluene
alpha,alpha,alpha-Trifluoronitrotoluene
Benzene,1-(trifluoromethyl)-3-nitro- | [EINECS(EC#)]
202-670-1 | [Molecular Formula]
C7H4F3NO2 | [MDL Number]
MFCD00007260 | [Molecular Weight]
191.11 | [MOL File]
98-46-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear yellow liquid | [Melting point ]
-5 °C
| [Boiling point ]
200-205 °C(lit.)
| [density ]
1.436 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.472(lit.)
| [Fp ]
190 °F
| [form ]
clear liquid | [color ]
Colorless to Yellow to Green | [Water Solubility ]
0.4 g/L (20 ºC) | [BRN ]
2051362 | [Henry's Law Constant]
5.3×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) | [Exposure limits]
ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3 | [InChI]
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H | [InChIKey]
WHNAMGUAXHGCHH-UHFFFAOYSA-N | [SMILES]
C1([N+]([O-])=O)=CC=CC(C(F)(F)F)=C1 | [CAS DataBase Reference]
98-46-4(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-nitro-3-(trifluoromethyl)-(98-46-4) | [EPA Substance Registry System]
98-46-4(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T+,T,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R21/22:Harmful in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 2306 6.1/PG 2
| [WGK Germany ]
2
| [RTECS ]
XT3500000
| [Hazard Note ]
Highly Toxic/Irritant | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29049090 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Safety Profile]
Poison by
intraperitoneal route. Moderately toxic by
ingestion, inhalation, and subcutaneous
routes. Combustible when exposed to heat
or flame. When heated to decomposition it
emits very toxic fumes of Fand NOx. See
also FLUORIDES and NITRO
COMPOUNDS OF AROMATIC
HYDROCARBONS. | [Hazardous Substances Data]
98-46-4(Hazardous Substances Data) |
| Hazard Information | Back Directory | [General Description]
Pale oily liquid. Insoluble in water. | [Reactivity Profile]
A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. | [Air & Water Reactions]
Insoluble in water. | [Hazard]
Toxic material | [Health Hazard]
ACUTE/CHRONIC HAZARDS: Toxic, also emits highly toxic fumes of NOx and fluorides when heated to decomposition. | [Fire Hazard]
This compound is combustible. | [Chemical Properties]
Clear yellow liquid | [Uses]
3-Nitrobenzotrifluoride is used as an intermediate in pharmaceuticals, pesticides, dyes, and as a raw material for organic synthesis. 3-Trifluoromethylnitrobenzene is an intermediate for the herbicides fluroxypyr, fluroxypyr, and pyrfluaniline, and also an intermediate for pharmaceuticals such as benzylfluthiazide, butyl flufenoxuron, monoflurane, fluxalen, monoflurane ethyl ester, trifluorothiazide, fluphenazine, and trifluoropromethazine. |
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