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6482-32-2

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Basic Information
CAS No.: 6482-32-2
Name: 2-(hydroxyMethyl)butane-1,4-diol
Article Data: 20
Molecular Structure:
Molecular Structure of 6482-32-2 (2-(hydroxyMethyl)butane-1,4-diol)
Formula: C8H10N2O2
Molecular Weight: 120.148
Synonyms: 2-(HYDROXYMETHYL)BUTANE-1,4-DIOL;5-AMINO-3-NITRO-1,2-XYLENE;2 - (Hydroxymethyl) - 1,4 - butanediol;
Density: 1.22 g/cm3
Boiling Point: 331.3 °C at 760 mmHg
Flash Point: 154.1 °C
PSA: 60.69000
LogP: -1.03040
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Specification

The 5-Amino-3-nitro-1,2-xylene, with the CAS registry number 6482-32-2, has the molecular formula C8H10N2O2. Besides, its molecular weight is 166.1772. Its systematic name is called 3,4-dimethyl-5-nitroaniline. 

Physical properties of 5-Amino-3-nitro-1,2-xylene: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.29; (4)ACD/BCF (pH 5.5): 32.25; (5)ACD/BCF (pH 7.4): 32.4; (6)ACD/KOC (pH 5.5): 417.72; (7)ACD/KOC (pH 7.4): 419.58; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.601; (12)Molar Refractivity: 46.68 cm3; (13)Molar Volume: 136.1 cm3; (14)Surface Tension: 51 dyne/cm; (15)Density: 1.22 g/cm3; (16)Flash Point: 154.1 °C; (17)Enthalpy of Vaporization: 57.39 kJ/mol; (18)Boiling Point: 331.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cc(N)cc1C)N(=O)=O
(2)InChI: InChI=1/C8H10N2O2/c1-5-3-7(9)4-8(6(5)2)10(11)12/h3-4H,9H2,1-2H3
(3)InChIKey: LRWWBVBRBWPHBA-UHFFFAOYAP