3-Nitrobenzotrifluoride CAS 98-46-4
Introduction：Basic information about 3-Nitrobenzotrifluoride CAS 98-46-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Nitrobenzotrifluoride Basic information
| Product Name: | 3-Nitrobenzotrifluoride |
| Synonyms: | Nitrobenzotrifluoride;M-(TRIFLUOROMETHYL)NITROBENZENE;M-NITRO-A,A,A-TRIFLUOROTOLUENE;M-NITROBENZOTRIFLUORIDE;m-Nitrotrifluorotoluene;1,3-Nitrobenzotrifluoride;1-nitro-3-(trifluoromethyl)-benzen;1-trifluoromethyl-3-nitrobenzene |
| CAS: | 98-46-4 |
| MF: | C7H4F3NO2 |
| MW: | 191.11 |
| EINECS: | 202-670-1 |
| Product Categories: | Aromatic Hydrocarbons (substituted) & Derivatives;bc0001 |
| Mol File: | 98-46-4.mol |
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 | n |
| Fp | 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 |
| 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) |
Safety Information
| 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 2 |
| 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) |
| 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 byintraperitoneal route. Moderately toxic byingestion, inhalation, and subcutaneousroutes. Combustible when exposed to heator flame. When heated to decomposition itemits very toxic fumes of Fand NOx. Seealso FLUORIDES and NITROCOMPOUNDS OF AROMATICHYDROCARBONS. |
3-Nitrobenzotrifluoride Preparation Products And Raw materials
| 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 |
