Cyclohexene,1-(nitromethyl)- supplier

Name
1-(NITROMETHYL)CYCLOHEX-1-ENE
EINECS
CAS No. 5330-61-0
Article Data17
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point
Formula C₇H₁₁NO₂
Boiling Point 206 °C at 760 mmHg
Molecular Weight 141.17
Flash Point 78.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Nitromethyl)cyclohex-1-ene;
PSA 45.82000
LogP 2.28670

Cyclohexene,1-(nitromethyl)- Specification

The Cyclohexene,1-(nitromethyl)-, with the CAS registry number 5330-61-0, is also known as 1-(Nitromethyl)cyclohex-1-ene. This chemical's molecular formula is C₇H₁₁NO₂ and molecular weight is 141.1677. What's more, both its IUPAC name and systematic name are the same which is called 1-(Nitromethyl)cyclohexene.

Physical properties about Cyclohexene,1-(nitromethyl)- are: (1)ACD/LogP: 2.38; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.77; (6)ACD/BCF (pH 7.4): 37.28; (7)ACD/KOC (pH 5.5): 468.31; (8)ACD/KOC (pH 7.4): 462.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 37.98 cm³; (15)Molar Volume: 131.5 cm³; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 1.072 g/cm³; (18)Flash Point: 78.5 °C; (19)Enthalpy of Vaporization: 44.23 kJ/mol; (20)Boiling Point: 206 °C at 760 mmHg; (21)Vapour Pressure: 0.242 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])C/C1=C/CCCC1
(2) InChI: InChI=1/C7H11NO2/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
(3) InChIKey: KEELANLBFIOZSH-UHFFFAOYAS

Product Name

1-(NITROMETHYL)CYCLOHEX-1-ENE

Cyclohexene,1-(nitromethyl)- Specification

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