Benzene,1-methoxy-4-(2-nitropropyl)- supplier

Name
(4-METHOXYPHENYL)-2-NITROPROPANE
EINECS
CAS No. 29865-49-4
Article Data10
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₃
Boiling Point 313.5 °C at 760 mmHg
Molecular Weight 195.218
Flash Point 139.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anisole,p-(2-nitropropyl)- (8CI);(4-Methoxyphenyl)-2-nitropropane;
PSA 55.05000
LogP 2.42610

Benzene,1-methoxy-4-(2-nitropropyl)- Specification

The Benzene, 1-methoxy-4-(2-nitropropyl)-, with the CAS registry number 29865-49-4, is also known as (4-Methoxyphenyl)-2-nitropropane. This chemical's molecular formula is C₁₀H₁₃NO₃ and molecular weight is 195.22. What's more, its systematic name is 1-Methoxy-4-(2-nitropropyl)benzene.

Physical properties about Benzene, 1-methoxy-4-(2-nitropropyl)- are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.24; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 55.05 Å²; (9)Index of Refraction: 1.515; (10)Molar Refractivity: 53.09 cm³; (11)Molar Volume: 175.9 cm³; (12)Polarizability: 21.04×10^-24 cm³; (13)Surface Tension: 37.8 dyne/cm; (14)Density: 1.109 g/cm³; (15)Flash Point: 139.2 °C; (16)Enthalpy of Vaporization: 55.46 kJ/mol; (17)Boiling Point: 313.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000495 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(CC(C)[N+]([O-])=O)cc1
(2) InChI: InChI=1/C10H13NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3
(3) InChIKey: CSMWRHUVDRHGAR-UHFFFAOYAY

Product Name

(4-METHOXYPHENYL)-2-NITROPROPANE

Benzene,1-methoxy-4-(2-nitropropyl)- Specification

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