2-Chloropropane-2-D1 supplier

Name
2-CHLOROPROPANE-2-D1
EINECS
CAS No. 53778-42-0
Density 0.886 g/cm³
Solubility
Melting Point
Formula C₃H₆ClD
Boiling Point 37.254 °C at 760 mmHg
Molecular Weight 79.5336
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-2-deuteriopropane;2-Deutero-2-chloropropane;2-Chloropropane-2-D1;Propane-2-d,2-chloro-;
PSA 0.00000
LogP 1.63360

2-Chloropropane-2-D1 Specification

The systematic name of 2-Chloropropane-2-D1 is 2-Chloro(2-²H)propane. With the CAS registry number 53778-42-0, it is also named as Propane-2-d,2-chloro-. In addition, its molecular formula is C₃H₆ClD and molecular weight is 79.55.

The other characteristics of 2-Chloropropane-2-D1 can be summarized as: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.976; (4)ACD/LogD (pH 7.4): 1.976; (5)ACD/BCF (pH 5.5): 18.7; (6)ACD/BCF (pH 7.4): 18.7; (7)ACD/KOC (pH 5.5): 283.141; (8)ACD/KOC (pH 7.4): 283.141; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.379; (13)Molar Refractivity: 20.755 cm³; (14)Molar Volume: 89.817 cm³; (15)Polarizability: 8.228×10^-24cm³; (16)Surface Tension: 18.925 dyne/cm; (17)Density: 0.886 g/cm³; (18)Enthalpy of Vaporization: 27.037 kJ/mol; (19)Boiling Point: 37.254 °C at 760 mmHg; (20)Vapour Pressure: 488.791 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [2H]C(C)(C)Cl
(2)InChI: InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3/i3D
(3)InChIKey: ULYZAYCEDJDHCC-WFVSFCRTEY
(4)Std. InChI: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3/i3D
(5)Std. InChIKey: ULYZAYCEDJDHCC-WFVSFCRTSA-N

Product Name

2-CHLOROPROPANE-2-D1

2-Chloropropane-2-D1 Specification

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