A7694112
3-(Trifluoromethyl)aniline , 99% , 98-16-8
Synonym(s):
α,α,α-Trifluoro-m-toluidine;3-Aminobenzotrifluoride
CAS NO.：98-16-8
Empirical Formula: C7H6F3N
Molecular Weight: 161.12
MDL number: MFCD00014717
EINECS: 202-643-4
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 5 °C |
| Boiling point: | 187 °C(lit.) |
| Density | 1.29 g/mL at 25 °C(lit.) |
| vapor pressure | 0.3 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point: | 185 °F |
| storage temp. | Store below +30°C. |
| solubility | 5 g/L (20°C) |
| form | Liquid |
| pka | 3.49(at 25℃) |
| color | Clear light yellow |
| Specific Gravity | 1.290 |
| Water Solubility | 5 g/L (20 ºC) |
| BRN | 387672 |
| Henry's Law Constant | 3.9×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Exposure limits | ACGIH: TWA 2.5 mg/m3 NIOSH: IDLH 250 mg/m3 |
| InChI | 1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2 |
| InChIKey | VIUDTWATMPPKEL-UHFFFAOYSA-N |
| SMILES | Nc1cccc(c1)C(F)(F)F |
| LogP | 2.09-2.16 at 25-30℃ and pH5.9 |
| Surface tension | 64.5mN/m at 1g/L and 22.2℃ |
| CAS DataBase Reference | 98-16-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenamine, 3-(trifluoromethyl)-(98-16-8) |
| EPA Substance Registry System | m-(Trifluoromethyl)aniline (98-16-8) |
Description and Uses
Benzenamine, 3-(trifluoromethyl)- is a combustible, colorless to yellow oily liquid with an amine-likeodor. Molecular weight=161.14; Boiling point = 187.5℃;Freezing/Melting point= 3℃; Flash point =85℃.Hazard Identification (based on NFPA-704 M RatingSystem): Health 2, Flammability 1, Reactivity 0.
Used as pharmaceutical intermediate.
Safety
| Symbol(GHS) |    GHS05,GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H330-H302-H315-H318-H411-H227 |
| Precautionary statements | P501-P273-P270-P260-P210-P271-P264-P280-P284-P302+P352-P370+P378-P391-P362+P364-P332+P313-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi,T,T+,Xn |
| Risk Statements | 36/37/38-33-23-21/22-26-24-22-20/21/22 |
| Safety Statements | 26-36-45-36/37/39-28A |
| RIDADR | UN 2948 |
| WGK Germany | 2 |
| RTECS | XU9180000 |
| Hazard Note | Toxic/Irritant |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29214300 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Oral Aquatic Chronic 2 Eye Dam. 1 Skin Irrit. 2 |
| Hazardous Substances Data | 98-16-8(Hazardous Substances Data) |
| REACH Registrations | Active |
| Limited Quantities | 100ml (liquid) or 0.5 Kg (solid) |
| Excepted Quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) |
