4-Methoxy-α-(nitromethyl)benzenemethanol supplier

Name
4-methoxy-alpha-(nitromethyl)benzyl alcohol
EINECS 253-877-9
CAS No. 38316-05-1
Article Data101
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point 40-41℃
Formula C₉H₁₁NO₄
Boiling Point 365.9 °C at 760 mmHg
Molecular Weight 197.191
Flash Point 175.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Methoxyphenyl)-2-nitroethanol;2-Nitro-1-(4-methoxyphenyl)ethanol;4-methoxy-alpha-(nitromethyl)benzyl alcohol;4-Methoxy-α-(nitromethyl)benzenemethanol;
PSA 75.28000
LogP 1.52850

4-Methoxy-α-(nitromethyl)benzenemethanol Specification

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

Product Name

4-methoxy-alpha-(nitromethyl)benzyl alcohol

4-Methoxy-α-(nitromethyl)benzenemethanol Specification

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