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4438-16-8

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Basic Information
CAS No.: 4438-16-8
Name: CHRYSOIDINE R
Molecular Structure:
Molecular Structure of 4438-16-8 (CHRYSOIDINE R)
Formula: C13H15ClN4
Molecular Weight: 226.2771
Synonyms: 1,3-Benzenediamine,4-methyl-6-(phenylazo)-, monohydrochloride (9CI);C.I. Basic Orange 1 (7CI);C.I. Basic Orange 1, monohydrochloride (8CI);Chrysoidine R (6CI);AstraChrysoidine RR;Astra Chrysoidine RR Extra;Basic Orange 1;Brasilazina Orange3R;C.I. 11320;Calcozine Orange RS;Chrysoidine 3R;Chrysoidine 3RN;Chrysoidine RN;Chrysoidine RPL;Chrysoidine RRS;Chrysoidine RS;DiazocardChrysoidine R;Methylchrysoidine;Pure Chrysoidine RD;Tertrophene Brown CR;
EINECS: 224-654-3
Density: 1.21 g/cm3
Melting Point: 235 °C
Boiling Point: 448.5 °C at 760 mmHg
Flash Point: 225.1 °C
Safety: 22-24/25
PSA: 76.76000
LogP: 5.53920
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Specification

The 1,3-Benzenediamine,4-methyl-6-(2-phenyldiazenyl)-, hydrochloride (1:1), with the CAS registry number 4438-16-8, is also known as Diazocard Chrysoidine R. Its EINECS registry number is 224-654-3. This chemical's molecular formula is C13H15ClN4 and molecular weight is 262.098524. Its IUPAC name is called 4-methyl-6-phenyldiazenylbenzene-1,3-diamine hydrochloride.

Physical properties of 1,3-Benzenediamine,4-methyl-6-(2-phenyldiazenyl)-, hydrochloride (1:1): (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 50.44; (5)ACD/BCF (pH 7.4): 50.69; (6)ACD/KOC (pH 5.5): 575.25; (7)ACD/KOC (pH 7.4): 578.11; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 225.1 °C; (12)Enthalpy of Vaporization: 70.71 kJ/mol; (13)Boiling Point: 448.5 °C at 760 mmHg; (14)Vapour Pressure: 3.08E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1N)N)N=NC2=CC=CC=C2.Cl
(2)InChI: InChI=1S/C13H14N4.ClH/c1-9-7-13(12(15)8-11(9)14)17-16-10-5-3-2-4-6-10;/h2-8H,14-15H2,1H3;1H
(3)InChIKey: SYGRIMFNUFCHJC-UHFFFAOYSA-N