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CAS No.: | 22996-17-4 |
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Name: | 4-Amino-2-nitrobenzyl alcohol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H8N2O3 |
Molecular Weight: | 168.152 |
Synonyms: | Benzylalcohol, 4-amino-2-nitro- (8CI);4-Amino-2-nitrobenzyl alcohol;(4-Amino-2-nitrophenyl)methanol; |
Density: | 1.432 g/cm3 |
Boiling Point: | 386.4 °C at 760 mmHg |
Flash Point: | 187.5 °C |
PSA: | 92.07000 |
LogP: | 1.77370 |
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The Benzenemethanol,4-amino-2-nitro-, with the CAS registry number 22996-17-4, is also known as 4-Amino-2-nitrobenzyl alcohol. This chemical's molecular formula is C7H8N2O3 and molecular weight is 168.15. What's more, its systematic name is (4-amino-2-nitrophenyl)methanol. Its classification code is Mutation data.
Physical properties of Benzenemethanol,4-amino-2-nitro- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.06; (8)ACD/KOC (pH 7.4): 30.08; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.29 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 43.48 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 17.23×10-24cm3; (17)Surface Tension: 72.1 dyne/cm; (18)Density: 1.432 g/cm3; (19)Flash Point: 187.5 °C; (20)Enthalpy of Vaporization: 67.01 kJ/mol; (21)Boiling Point: 386.4 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])CO
(2)InChI: InChI=1S/C7H8N2O3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4,8H2
(3)InChIKey: LYFKDORDJDVFOZ-UHFFFAOYSA-N