N,N-Diphenylhydrazinium chloride

Details:

1.Introduction of 530-47-2

N,N-Diphenylhydrazinium chloride has the CAS registry number of 530-47-2. It has synonyms of 1,1-diphenyl-hydrazinmonohydrochloride, N,N-diphenylhydrazine hydrochloride, N,N-diphenylhydrazinium chloride, TIMTEC-BB SBB003350, ASYM-diphenylhydrazine hydrochloride, 1,1-diphenylhydrazine hydrochloride, N,N-diphenylhydrazinium(1+) chloride, 1,1-diphenylhydrazine hydrochloride. The wide applications are aromatic hydrazides, hydrazines, hydrazones and oximes, pharmacetical, phenylhydrazine.

2.Properties of 530-47-2

ACD/LogP: 2.8
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.80
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 5.5): 78.52
ACD/BCF (pH 7.4): 79.06
ACD/KOC (pH 5.5): 789.21
ACD/KOC (pH 7.4): 794.63
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
Polar Surface Area: 29.26?²
Index of Refraction: 1.656
Molar Refractivity: 59.234 cm³
Molar Volume: 161.18 cm³
Polarizability: 23.482 10-24cm³
Surface Tension: 52.0870018005371 dyne/cm
Density: 1.143 g/cm3
Flash Point: 180.522 °C
Enthalpy of Vaporization: 57.254 kJ/mol
Boiling Point: 330.002 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 530-47-2

(1)InChI: InChI=1S/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H
(2)InChIKey: MIVUDWFNUOXEJM-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl

4.Safety Information of 530-47-2

Hazard Codes: C,Xn
Risk Statements: 20/21/22-34-36/37/38
Safety Statements: 26-36/37/39-45
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
RTECS: MV3520000
F: 8
HazardClass: 8
PackingGroup: III
HS Code: 29280090