IUPAC Name: 6-amino-2,4-dichloro-3-methylphenol hydrochloride
Molecular Formula: C7H8Cl3NO
Molecular Weight: 228.50
CAS Registry Number: 39549-31-0
EINECS: 254-503-7
Structure of Phenol,6-amino-2,4-dichloro-3-methyl-, hydrochloride (1:1) (CAS NO.39549-31-0):
Index of Refraction: 1.64
Molar Refractivity: 46.98 cm3
Molar Volume: 130.3 cm3
Polarizability: 18.62×10-24cm3
Surface Tension: 56.6 dyne/cm
Density: 1.473 g/cm3
Flash Point: 133 °C
Enthalpy of Vaporization: 55.75 kJ/mol
Melting Point: 134 °C
Boiling Point: 296.3 °C at 760 mmHg
Vapour Pressure: 0.000819 mmHg at 25°C
Canonical SMILES: CC1=C(C=C(C(=C1Cl)O)N)Cl.Cl
InChI: InChI=1S/C7H7Cl2NO.ClH/c1-3-4(8)2-5(10)7(11)6(3)9;/h2,11H,10H2,1H3;1H
InChIKey: ZOQYQHLEDJOHOK-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Phenol,6-amino-2,4-dichloro-3-methyl-, hydrochloride (1:1) , its cas register number is 39549-31-0. It also can be called 4, 6-Dichloro-2-amino-5-methylphenol hydrochloride ; 6-Amino-2, 4-dichloro-3-methylphenol hydrochloride .
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