3-Nitrobenzotrifluoride
Synonym(s):3-Nitro-α,α,α-trifluorotoluene
- CAS NO.:98-46-4
- Empirical Formula: C7H4F3NO2
- Molecular Weight: 191.11
- MDL number: MFCD00007260
- EINECS: 202-670-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-08-15 17:37:19
What is 3-Nitrobenzotrifluoride?
Chemical properties
Clear yellow liquid
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.
Properties of 3-Nitrobenzotrifluoride
Melting point: | -5 °C |
Boiling point: | 200-205 °C(lit.) |
Density | 1.436 g/mL at 25 °C(lit.) |
refractive index | n |
Flash point: | 190 °F |
form | clear liquid |
color | Colorless to Yellow to Green |
Water Solubility | 0.4 g/L (20 ºC) |
BRN | 2051362 |
Exposure limits | ACGIH: TWA 2.5 mg/m3 NIOSH: IDLH 250 mg/m3 |
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) |
Safety information for 3-Nitrobenzotrifluoride
Signal word | Danger |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Nitrobenzotrifluoride
InChIKey | WHNAMGUAXHGCHH-UHFFFAOYSA-N |
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