3-Nitrobenzotrifluoride
- Product Name3-Nitrobenzotrifluoride
- CAS98-46-4
- CBNumberCB1195437
- MFC7H4F3NO2
- MW191.11
- EINECS202-670-1
- MDL NumberMFCD00007260
- MOL File98-46-4.mol
- MSDS FileSDS
Chemical Properties
| 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 |
| Henry's Law Constant | 5.3×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 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) |
| EWG's Food Scores | 1 |
| FDA UNII | GU6L7C6HW3 |
| NIST Chemistry Reference | Benzene, 1-nitro-3-(trifluoromethyl)-(98-46-4) |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H330-H302-H315-H319-H412 | |||||||||
| Precautionary statements | P501-P273-P260-P270-P271-P264-P280-P284-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P310-P403+P233-P405 | |||||||||
| 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 II (NITROBENZOTRIFLUORIDES, LIQUID) | |||||||||
| RIDADR | UN 3431 6.1/PG II (NITROBENZOTRIFLUORIDES, SOLID) | |||||||||
| 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) | |||||||||
| NFPA 704: |
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