1-Butanol,2-methyl-4-nitro-, (2R)- supplier

Name
(R)-2-methyl-4-nitrobutan-1-ol
EINECS
CAS No. 1022985-41-6
Article Data4
CAS DataBase
Density 1.094 g/cm³
Solubility
Melting Point
Formula C₅H₁₁NO₃
Boiling Point 224.313 °C at 760 mmHg
Molecular Weight 133.14574
Flash Point 98.985 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2R)-2-Methyl-4-nitrobutan-1-ol;
PSA 66.05000
LogP 0.80480

1-Butanol,2-methyl-4-nitro-, (2R)- Specification

The 1-Butanol,2-methyl-4-nitro-, (2R)-, with the CAS registry number 1022985-41-6, is also known as (R)-2-Methyl-4-nitrobutan-1-ol. This chemical's molecular formula is C₅H₁₁NO₃ and molecular weight is 133.14574. What's more, both its IUPAC name and systematic name are the same which is called (2R)-2-Methyl-4-nitrobutan-1-ol.

Physical properties about 1-Butanol,2-methyl-4-nitro-, (2R)- are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.177; (4)ACD/LogD (pH 7.4): 0.146; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.705; (8)ACD/KOC (pH 7.4): 27.659; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 66.05 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 32.729 cm³; (15)Molar Volume: 121.731 cm³; (16)Surface Tension: 38.761 dyne/cm; (17)Density: 1.094 g/cm³; (18)Flash Point: 98.985 °C; (19)Enthalpy of Vaporization: 53.579 kJ/mol; (20)Boiling Point: 224.313 °C at 760 mmHg; (21)Vapour Pressure: 0.018 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H](CC[N+](=O)[O-])CO
(2) InChI: InChI=1/C5H11NO3/c1-5(4-7)2-3-6(8)9/h5,7H,2-4H2,1H3/t5-/m1/s1
(3) InChIKey: CZUKMJNCZHVKEK-RXMQYKEDBF

Product Name

(R)-2-methyl-4-nitrobutan-1-ol

1-Butanol,2-methyl-4-nitro-, (2R)- Specification

Related Products

Hot Products