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Name |
2-Methyl-3-nitrobenzotrifluoride |
EINECS | 229-688-2 |
CAS No. | 6656-49-1 | Density | 1.357 g/cm3 |
PSA | 45.82000 | LogP | 3.44520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6F3NO2 | Boiling Point | 202.8 °C at 760 mmHg |
Molecular Weight | 205.136 | Flash Point | 76.4 °C |
Transport Information | N/A | Appearance | Colorless to light yellow Liquid |
Safety | S23-26-36/37/39 | Risk Codes | R20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | R21/22:Harmful in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.; | |
Synonyms |
2-Nitro-6-(trifluoromethyl)toluene |
Article Data | 1 |
Product Name: 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1)
Molecular Formula: C8H6F3NO2
Molecular Weight: 205.13g/mol
Mol File: 6656-49-1.mol
EINECS: 229-688-2
Boiling point: 202.8 °C at 760 mmHg
Flash Point: 76.4 °C
Density: 1.357 g/cm3
Surface Tension: 31.4 dyne/cm
Enthalpy of Vaporization: 42.1 kJ/mol
Vapour Pressure: 0.409 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1):
IUPAC Name: 2-methyl-1-nitro-3-(trifluoromethyl)benzene
Canonical SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(F)(F)F
InChI: InChI=1S/C8H6F3NO2/c1-5-6(8(9,10)11)3-2-4-7(5)12(13)14/h2-4H,1H3
InChIKey: KQUQBPVYIURTNZ-UHFFFAOYSA-N
Product Categories: Trifluoromethylbenzene serise
Safety Information of 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1):
Hazard Codes: Xi,T
Risk Statements: 20/21/22-36/37/38-25
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 23-26-36/37/39-60-45-36/37-20-36
20: When using, do not eat or drink
23: Do not breathe
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
2-Methyl-3-nitrobenzotrifluoride , its CAS NO. is 6656-49-1, the synonym is alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene .