Butane-1-d (9CI) supplier | CasNO.53716-53-3

Name
N-BUTANE-1-D1
EINECS
CAS No. 53716-53-3
Article Data5
CAS DataBase
Density 0.625 g/cm³
Solubility
Melting Point
Formula C₄H₉D
Boiling Point
Molecular Weight 59.1155
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-BUTANE-1-D1;n-Butane-1-D1 (gas);n-Butane-d1
PSA 0.00000
LogP 1.80640

Butane-1-d (9CI) Specification

This chemical is called Butane-1-d (9CI), and its systematic name is (1-²H₁)Butane. With the molecular formula of C₄H₉D, its molecular weight is 59.13. The CAS registry number of this chemical is 53716-53-3.

Other characteristics of the Butane-1-d (9CI) can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.745; (4)ACD/LogD (pH 7.4): 2.745; (5)ACD/BCF (pH 5.5): 71.833; (6)ACD/BCF (pH 7.4): 71.833; (7)ACD/KOC (pH 5.5): 741.937; (8)ACD/KOC (pH 7.4): 741.937; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.354; (13)Molar Refractivity: 20.58 cm³; (14)Molar Volume: 94.563 cm³; (15)Polarizability: 8.159×10^-24cm³; (16)Surface Tension: 16.747 dyne/cm; (17)Density: 0.625 g/cm³; (18)Enthalpy of Vaporization: 22.44 kJ/mol; (19)Boiling Point: °C at 760 mmHg; (20)Vapour Pressure: 1918.196 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [2H]CCCC
2.InChI: InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D
3.InChIKey: IJDNQMDRQITEOD-MICDWDOJEF

Product Name

N-BUTANE-1-D1

Butane-1-d (9CI) Specification

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