Product Name: alpha,4-Dichloro-2-nitrotoluene (CAS NO.938-71-6)
Molecular Formula: C7H5Cl2NO2
Molecular Weight: 206.03g/mol
Mol File: 938-71-6.mol
EINECS: 213-345-9
Melting Point: 38-44 °C(lit.)
Boiling point: 283.7 °C at 760 mmHg
Flash Point: 125.4 °C
Density: 1.462 g/cm3
Surface Tension: 49.5 dyne/cm
Enthalpy of Vaporization: 50.17 kJ/mol
Vapour Pressure: 0.00532 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of alpha,4- Dichloro-2-nitrotoluene (CAS NO.938-71-6):
IUPAC Name: 1-Chloro-3-(chloromethyl)-5-nitrobenzene
Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Cl)CCl
InChI: InChI=1S/C7H5Cl2NO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2
InChIKey: QBIQAXWMONJLNW-UHFFFAOYSA-N
Potentially dangerous exothermic reaction when heated above 190°C in a sealed container. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Safety Information of alpha,4-Dichloro-2-nitrotoluene (CAS NO.938-71-6):
Hazard Codes: C
Risk Statements: 34-36/37
34: Causes burns
36: Irritating to the eyes
37: Irritating to the respiratory system
Safety Statements: 26-27-28-36/37/39-45
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
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)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III
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