CAS No.3163-15-3,2-Amino-1,3-benzenediol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3163-15-3
Name:	2-Amino-1,3-benzenediol
Article Data:	50

Formula:	C₆H₇NO₂
Molecular Weight:	125.127
Synonyms:	Resorcinol,2-amino- (6CI,7CI,8CI);2,6-Dihydroxyaniline;2-Aminobenzene-1,3-diol;2-Aminoresorcin;2-Aminoresorcinol;1, 3-Benzenediol, 2-amino-, hydrochloride;1,3-Benzenediol, 2-amino-;2-Aminoresorcinol;
EINECS:	926-781-6
Density:	1.412 g/cm³
Melting Point:	>200 °C (decomp)
Boiling Point:	292.8 °C at 760 mmHg
Flash Point:	130.9 °C
PSA:	66.48000
LogP:	1.26120

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Specification

The 2-Aminoresorcinol, with the CAS registry number 3163-15-3, has the systematic name of 2-aminobenzene-1,3-diol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₇NO₂.

The characteristics of 2-Aminoresorcinol are as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.67; (8)ACD/KOC (pH 7.4): 21.99; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 34.25 cm³; (15)Molar Volume: 88.5 cm³; (16)Polarizability: 13.57×10^-24cm³; (17)Surface Tension: 77.8 dyne/cm; (18)Density: 1.412 g/cm³; (19)Flash Point: 130.9 °C; (20)Enthalpy of Vaporization: 55.36 kJ/mol; (21)Boiling Point: 292.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00103 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cccc(O)c1N
(2)InChI: InChI=1/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2
(3)InChIKey: JEPCLNGRAIMPQV-UHFFFAOYAG