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Basic Information
CAS No.: 79237-16-4
Name: Hydrazine, phenyl-d5- (9CI)
Molecular Structure:
Molecular Structure of 79237-16-4 (Hydrazine, phenyl-d<sub>5</sub>- (9CI))
Formula: C6H3D5N2
Molecular Weight: 113.103
Synonyms: (2, 3, 4, 5, 6-Pentadeuteriophenyl)hydrazine;
Density: 1.178 g/cm3
Boiling Point: 243 °C at 760 mmHg
Flash Point: 115.445 °C
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Specification

The Hydrazine, phenyl-d5- (9CI), with the CAS registry number 79237-16-4, is also known as Phenyl-d5-hydrazine. This chemical's molecular formula is C6H3D5N2 and molecular weight is 113.17. What's more, its systematic name is (2, 3, 4, 5, 6-Pentadeuteriophenyl)hydrazine.

Physical properties about Hydrazine, phenyl-d5- (9CI) are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.009; (4)ACD/LogD (pH 7.4): 1.212; (5)ACD/BCF (pH 5.5): 3.068; (6)ACD/BCF (pH 7.4): 4.903; (7)ACD/KOC (pH 5.5): 67.818; (8)ACD/KOC (pH 7.4): 108.363; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 34.765 cm3; (15)Molar Volume: 96.06 cm3; (16)Polarizability: 13.782×10-24 cm3; (17)Surface Tension: 49.981 dyne/cm; (18)Density: 1.178 g/cm3; (19)Flash Point: 115.445 °C; (20)Enthalpy of Vaporization: 48 kJ/mol; (21)Boiling Point: 243 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25 °C.

Uses of Hydrazine, phenyl-d5- (9CI): it is used to produce other chemicals. For example, it is used to produce 1, 4, 5, 6-Tetrahydro-2, 4-di[2H5]phenyl-6-phenyl-1, 2, 4, 5-tetrazin-3(2H)-one. The reaction needs reagent Et3N and solvent Ethanol. The reaction time is 2 hours. The yield is about 57 %.

Hydrazine, phenyl-d5- (9CI) can react with Benzaldehyde 2-chloroformyl-2-[2H5]phenylhydrazone to get 1, 4, 5, 6-Tetrahydro-2, 4-di[2H5]phenyl-6-phenyl-1, 2, 4, 5-tetrazin-3(2H)-one.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c(c(c(c1[2H])[2H])NN)[2H])[2H]
(2) InChI: InChI=1/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2/i1D,2D,3D,4D,5D
(3) InChIKey: HKOOXMFOFWEVGF-RALIUCGREK