1-Butanol,4-nitro-, 1-acetate supplier

Name
4-nitrobutyl acetate
EINECS
CAS No. 21461-50-7
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO₄
Boiling Point 239.4 °C at 760 mmHg
Molecular Weight 161.16
Flash Point 107.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Butanol,4-nitro-, acetate (ester) (8CI,9CI);4-Nitrobutyl acetate;NSC 106860;
PSA
LogP

1-Butanol,4-nitro-, 1-acetate Specification

The 1-Butanol,4-nitro-, 1-acetate has the CAS registry number 21461-50-7. This chemical's molecular formula is C₆H₁₁NO₄ and molecular weight is 161.16. What's more, its systematic name is 4-nitrobutyl acetate.

Physical properties of 1-Butanol,4-nitro-, 1-acetate are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 72.12 Å²; (7)Index of Refraction: 1.436; (8)Molar Refractivity: 37.64 cm³; (9)Molar Volume: 143.8 cm³; (10)Polarizability: 14.92×10^-24 cm³; (11)Surface Tension: 36.7 dyne/cm; (12)Density: 1.12 g/cm³; (13)Flash Point: 107.6 °C; (14)Enthalpy of Vaporization: 47.63 kJ/mol; (15)Boiling Point: 239.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0402 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCCCC[N+]([O-])=O)C
(2)InChI: InChI=1/C6H11NO4/c1-6(8)11-5-3-2-4-7(9)10/h2-5H2,1H3
(3)InChIKey: LWNFHUWYPBFSSE-UHFFFAOYAI

Product Name

4-nitrobutyl acetate

1-Butanol,4-nitro-, 1-acetate Specification

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