Name: 4-METHYL-3-NITROBENZYL ALCOHOL
SKU: 40870-59-5

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Basic Information

Molecular Structure:
CAS No.:	40870-59-5
Name:	4-METHYL-3-NITROBENZYL ALCOHOL
Article Data:	5

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	Benzylalcohol, 4-methyl-3-nitro- (7CI);3-Nitro-4-methylbenzyl alcohol;4-Methyl-3-nitrobenzyl alcohol;
EINECS:	255-120-8
Density:	1.272 g/cm³
Melting Point:	39-41 °C(lit.)
Boiling Point:	320 °C at 760 mmHg
Flash Point:	143.9 °C
PSA:	66.05000
LogP:	1.91870

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Specification

The CAS register number of Benzenemethanol,4-methyl-3-nitro- is 40870-59-5. It also can be called as 3-Nitro-4-methylbenzyl alcohol and the systematic name about this chemical is (4-methyl-3-nitrophenyl)methanol. The molecular formula about this chemical is C₈H₉NO₃ and the molecular weight is 167.16. It belongs to the following product categories which include Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds and so on.

Physical properties about Benzenemethanol,4-methyl-3-nitro- are: (1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 5.02; (5)ACD/BCF (pH 7.4): 5.02; (6)ACD/KOC (pH 5.5): 110.47; (7)ACD/KOC (pH 7.4): 110.47; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.05Å²; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 44.07 cm³; (14)Molar Volume: 131.3 cm³; (15)Polarizability: 17.47x10^-24cm³; (16)Surface Tension: 52.6 dyne/cm; (17)Flash Point: 143.9 °C; (18)Enthalpy of Vaporization: 59.29 kJ/mol; (19)Boiling Point: 320 °C at 760 mmHg; (20)Vapour Pressure: 0.000136 mmHg at 25°C.

Uses of Benzenemethanol,4-methyl-3-nitro-: it can be used to produce 3-amino-4-methyl-benzyl alcohol. This reaction will need reagent zinc, HCl, alcohol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1C)CO
(2)InChI: InChI=1/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
(3)InChIKey: URCWIFSXDARYLY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
(5)Std. InChIKey: URCWIFSXDARYLY-UHFFFAOYSA-N