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39549-31-0

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Basic Information
CAS No.: 39549-31-0
Name: 6-Amino-2,4-dichloro-3-methylphenol hydrochloride
Molecular Structure:
Molecular Structure of 39549-31-0 (6-Amino-2,4-dichloro-3-methylphenol hydrochloride)
Formula: C7H8Cl3NO
Molecular Weight: 228.506
Synonyms: Phenol,6-amino-2,4-dichloro-3-methyl-, hydrochloride (9CI);m-Cresol,6-amino-2,4-dichloro-, hydrochloride (6CI);2-Amino-4,6-dichloro-5-methylphenolhydrochloride;3,5-Dichloro-6-hydroxy-4-methylaniline hydrochloride;6-Amino-2,4-dichloro-3-methylphenol hydrochloride;PC 87;
EINECS: 254-503-7
Density: 1.473 g/cm3
Melting Point: 134 °C
Boiling Point: 296.3 °C at 760 mmHg
Flash Point: 133 °C
Hazard Symbols: IrritantXi
Risk Codes: R36/37/38
Safety: S26;S36
PSA: 46.25000
LogP: 3.97280
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Chemistry

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

Safety Profile

Hazard Codes: IrritantXi
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

Specification

  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 .