3-Nitrobenzotrifluoride
- Product Name3-Nitrobenzotrifluoride
- CAS98-46-4
- CBNumberCB1195437
- MFC7H4F3NO2
- MW191.11
- EINECS202-670-1
- MDL NumberMFCD00007260
- MOL File98-46-4.mol
Chemical Properties
| Melting point: | -5 °C |
| Boiling point: | 203 °C |
| Density | 1.43 |
| refractive index | 1.47 |
| Flash point: | 103 °C |
| 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) |
| NIST Chemistry Reference | Benzene, 1-nitro-3-(trifluoromethyl)-(98-46-4) |
| EPA Substance Registry System | 3-Nitrobenzotrifluoride (98-46-4) |
Safety
| Symbol(GHS) |
 GHS06 |
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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 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| 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 | 2904990090 | |||||||||
| Storage Class |
6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
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| Hazard Classifications |
Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| Hazardous Substances Data | 98-46-4(Hazardous Substances Data) | |||||||||
| NFPA 704: |
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