98-46-4
Product Name:
3-Nitrobenzotrifluoride
Formula:
C7H4F3NO2
Synonyms:
3-Nitro-α,α,α-trifluorotoluene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 3-nitro-alpha,alpha,alpha-trifluorotoluene is a pale oily liquid. Insoluble in water. (NTP, 1992) |
|---|---|
| Color/Form | PALE STRAW, THIN OILY LIQ |
| Odor | AROMATIC ODOR |
| Boiling Point | 397 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 27.7 °F (NTP, 1992) |
| Flash Point | 214 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| Density | 1.437 at 59.9 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 6.59 (AIR= 1) |
| Vapor Pressure | 0.25 [mmHg] |
| Viscosity | 2.35 CENTIPOISES @ 100 °F |
| Kovats Retention Index | 1032 |
| Other Experimental Properties | DISTILLATION RANGE 200.5-208.5 °C; WT/GAL 11.98 LB @ 15.5 °C |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
| 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
| Molecular Weight | 191.11 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 191.01941286 g/mol |
| Monoisotopic Mass | 191.01941286 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 199 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-nitro-alpha,alpha,alpha-trifluorotoluene is a pale oily liquid. Insoluble in water. (NTP, 1992)