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CAS No.: | 38316-05-1 |
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Name: | 4-methoxy-alpha-(nitromethyl)benzyl alcohol |
Article Data: | 101 |
Molecular Structure: | |
Formula: | C9H11NO4 |
Molecular Weight: | 197.191 |
Synonyms: | 1-(4-Methoxyphenyl)-2-nitroethanol;2-Nitro-1-(4-methoxyphenyl)ethanol;4-methoxy-alpha-(nitromethyl)benzyl alcohol;4-Methoxy-α-(nitromethyl)benzenemethanol; |
EINECS: | 253-877-9 |
Density: | 1.253 g/cm3 |
Melting Point: | 40-41℃ |
Boiling Point: | 365.9 °C at 760 mmHg |
Flash Point: | 175.1 °C |
PSA: | 75.28000 |
LogP: | 1.52850 |
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The CAS register number of Benzenemethanol,4-methoxy-a-(nitromethyl)- is 38316-05-1. It also can be called as 4-methoxy-alpha-(nitromethyl)benzyl alcohol and the IUPAC name about this chemical is 1-(4-methoxyphenyl)-2-nitroethanol. The molecular formula about this chemical is C9H11NO4 and the molecular weight is 197.19.
Physical properties about Benzenemethanol,4-methoxy-a-(nitromethyl)- are: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 6.96; (5)ACD/BCF (pH 7.4): 4.45; (6)ACD/KOC (pH 5.5): 139.25; (7)ACD/KOC (pH 7.4): 89.07; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 64.28 Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 50.04 cm3; (14)Molar Volume: 157.2 cm3; (15)Polarizability: 19.83x10-24cm3; (16)Surface Tension: 48.2 dyne/cm; (17)Density: 1.253 g/cm3; (18)Flash Point: 175.1 °C; (19)Enthalpy of Vaporization: 64.59 kJ/mol; (20)Boiling Point: 365.9 °C at 760 mmHg; (21)Vapour Pressure: 5.37E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CC(O)c1ccc(OC)cc1
(2)Std. InChI: InChI=1S/C9H11NO4/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3
(3)Std. InChIKey: KLESIDDCPSMIRB-UHFFFAOYSA-N