IUPAC Name: 4-Amino-3-chlorobenzonitrile
Following is the structure of Benzonitrile,4-amino-3-chloro- (CAS NO.21803-75-8):
Empirical Formula: C7H5ClN2
Molecular Weight: 152.581
Index of Refraction: 1.609
Molar Refractivity: 39.76 cm3
Molar Volume: 114.7 cm3
Density: 1.33 g/cm3
Flash Point: 121.8 °C
Surface Tension: 59.1 dyne/cm
Melting point: 102-105 °C(lit.)
Enthalpy of Vaporization: 51.64 kJ/mol
Boiling Point: 277.8 °C at 760 mmHg
Vapour Pressure: 0.00442 mmHg at 25 °C
Appearance of Benzonitrile,4-amino-3-chloro- (CAS NO.21803-75-8): white to light yellow crystal powder
Product Categories: Aromatic Nitriles; Nitrile; C6 to C7; Cyanides/Nitriles; Nitrogen Compounds
Canonical SMILES: C1=CC(=C(C=C1C#N)Cl)N
InChI: InChI=1S/C7H5ClN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2
InChIKey: OREVCMGFYSUYPX-UHFFFAOYSA-N
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Harmful/Irritant
HazardClass: 6.1
PackingGroup: III
Benzonitrile,4-amino-3-chloro- , its cas register number 21803-75-8. It also can be called 4-Amino-3-chlorobenzonitrile ; and 3-Chloro-4-aminobenzonitrile .
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