98-46-4

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 NO: 98-46-4
• Molecular Formula: C₇H₄F₃NO₂
• Molecular Weight: 191.11
• EINECS: 202-670-1
• Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives
• Mol File: 98-46-4.mol

Chemical Properties

• Melting Point: -5 °C
• Boiling Point: 200-205 °C(lit.)
• Flash Point: 190 °F
• Appearance: Clear yellow liquid
• Density: 1.436 g/mL at 25 °C(lit.)
• Vapor Pressure: 7.05E-07mmHg at 25°C
• Refractive Index: n20/D 1.472(lit.)
• Water Solubility: 0.4 g/L (20 ºC)
• BRN: 2051362
• CAS DataBase Reference: 3-Nitrobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Nitrobenzotrifluoride(98-46-4)
• EPA Substance Registry System: 3-Nitrobenzotrifluoride(98-46-4)

Safety Data

• Hazard Codes: T+,T,Xi
• 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
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 98-46-4(Hazardous Substances Data)

Usage

Chemical Properties

Clear yellow liquid

General Description

Pale oily liquid. Insoluble in water.

Air & Water Reactions

Insoluble in water.

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.

InChI:InChI=1/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19)