ChemicalBook--->CAS DataBase List--->98-46-4

98-46-4

98-46-4 Structure

98-46-4 Structure
IdentificationMore
[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 PropertiesBack 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
[Water Solubility ]

0.4 g/L (20 ºC)
[BRN ]

2051362
[InChIKey]

WHNAMGUAXHGCHH-UHFFFAOYSA-N
[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 DataBack 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
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->FUMING SULFURIC ACID-->Benzotrifluoride-->Benzotrichloride
[Preparation Products]

3-Aminobenzotrifluoride-->3-AMINO-6-(TRIFLUOROMETHYL)-1H-INDAZOLE-->7-(TRIFLUOROMETHYL)QUINOLINE-->BENDROFLUMETHIAZIDE-->Flutamide-->2-Amino-4-trifluoromethylbenzonitrile-->4-Aminobenzotrifluoride-->4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide-->PERFLUORO(METHYLCYCLOHEXANE)-->2-Chloroanthracene-->3-Fluorobenzotrifluoride-->1-NITRO-3-(TRICHLOROMETHYL)BENZENE-->3-BROMO-5-NITROBENZOTRIFLUORIDE
Hazard InformationBack 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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Nitro-3-(trifluoromethyl)benzene(98-46-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Nitrobenzotrifluoride(98-46-4)MS
3-Nitrobenzotrifluoride(98-46-4)1HNMR
3-Nitrobenzotrifluoride(98-46-4)13CNMR
3-Nitrobenzotrifluoride(98-46-4)IR1
3-Nitrobenzotrifluoride(98-46-4)IR2
3-Nitrobenzotrifluoride(98-46-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Nitro-alpha,alpha,alpha-trifluorotoluene, 97%(98-46-4)
[Alfa Aesar]

3-Nitrobenzotrifluoride, 97%(98-46-4)
[Sigma Aldrich]

98-46-4(sigmaaldrich)
[TCI AMERICA]

3-Nitrobenzotrifluoride,>96.0%(GC)(98-46-4)
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