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| | 3-Nitrobenzotrifluoride Basic information |
| | 3-Nitrobenzotrifluoride Chemical Properties |
| 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 | 3-Nitrobenzotrifluoride (98-46-4) |
| Hazard Codes | T+,T,Xi | | Risk Statements | 22-26-36/37/38-52/53-21/22 | | Safety Statements | 26-28-36/37-45-61-36/37/39-28A | | RIDADR | UN 2306 6.1/PG II (NITROBENZOTRIFLUORIDES,
LIQUID) | | RIDADR | UN 3431 6.1/PG II (NITROBENZOTRIFLUORIDES,
SOLID) | | WGK Germany | 2 | | RTECS | XT3500000 | | Hazard Note | Highly Toxic/Irritant | | TSCA | TSCA listed | | 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 | | Hazardous Substances Data | 98-46-4(Hazardous Substances Data) |
| | 3-Nitrobenzotrifluoride Usage And Synthesis |
| 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. | | General Description | Pale oily liquid. Insoluble in water. | | Air & Water Reactions | 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. | | Hazard | Toxic material | | Health Hazard | ACUTE/CHRONIC HAZARDS: Toxic, also emits highly toxic fumes of NOx and fluorides when heated to decomposition. | | Fire Hazard | 3-Nitrobenzotrifluoride is combustible. | | 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. |
| | 3-Nitrobenzotrifluoride Preparation Products And Raw materials |
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