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Name |
2-Nitro-4-(trifluoromethyl)benzonitrile |
EINECS | 212-298-1 |
CAS No. | 778-94-9 | Density | 1.49 g/cm3 |
PSA | 69.61000 | LogP | 3.00848 |
Solubility | N/A | Melting Point |
44-47 °C(lit.) |
Formula | C8H3F3N2O2 | Boiling Point | 280.4 °C at 760 mmHg 156-158 °C18 mm Hg(lit.) |
Molecular Weight | 216.119 | Flash Point | 113 ºC |
Transport Information | N/A | Appearance | yellow crystalline chunks |
Safety | S26-36 | Risk Codes | R20/21/22;R36/37/38 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
4-Cyano-3-nitrobenzotrifluoride |
Article Data | 28 |
Product Name: 2-Nitro-4-(trifluoromethyl)benzonitrile (CAS NO.778-94-9)
Molecular Formula: C8H3F3N2O2
Molecular Weight: 216.12g/mol
Mol File: 778-94-9.mol
EINECS: 212-298-1
Melting Point: 44-47 °C(lit.)
Boiling point: 280.4 °C at 760 mmHg
Flash Point: 127.5 °C
Density: 1.49 g/cm3
Surface Tension: 44.2 dyne/cm
Enthalpy of Vaporization: 51.92 kJ/mol
Vapour Pressure: 0.00379 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of 2-Nitro-4-(trifluoromethyl)benzonitrile (CAS NO.778-94-9):
IUPAC Name: 2-nitro-4-(trifluoromethyl)benzonitrile
Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N
InChI: InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
InChIKey: BQCWLXXZTCLGSZ-UHFFFAOYSA-N
Product Categories: C8 to C9; Cyanides/Nitriles; Nitrogen Compounds
Safety Information of 2-Nitro-4-(trifluoromethyl)benzonitrile (CAS NO.778-94-9):
Hazard Codes: Xi,T,Xn
Risk Statements: 36/37/38-20/21/22
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36-36/37/39
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
RIDADR: 3276
WGK Germany: 3
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III
2-Nitro-4-(trifluoromethyl)benzonitrile , its CAS NO. is 778-94-9, the synonym is EINECS 212-298-1 .