Basic Brown 4 supplier | CasNO.5421-66-9

Name
BISMARCK BROWN R
EINECS 226-541-4
CAS No. 5421-66-9
Density 1.34g/cm³
Solubility Soluble in water
Melting Point 222 °C (dec.)(lit.)
Formula C₂₁H₂₄N₈^.2(HCl)
Boiling Point 729 °C at 760 mmHg
Molecular Weight 461.397
Flash Point 394.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzenediamine,4,4'-[(4-methyl-1,3-phenylene)bis(azo)]bis[6-methyl-, dihydrochloride (9CI);
PSA 153.52000
LogP 9.70020

Basic Brown 4 Specification

The Basic Brown 4 is an organic compound with the formula C₂₁H₂₄N₈^.2(HCl). The IUPAC name of this chemical is 4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine dihydrochloride. With the CAS registry number 5421-66-9, it is also named as 1,3-Benzenediamine, 4,4'-((4-methyl-1,3-phenylene)bis(2,1-diazenediyl))bis(6-methyl-, hydrochloride (1:2). The product's category is Organics.

Physical properties about this chemical are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 222.03; (6)ACD/BCF (pH 7.4): 223.5; (7)ACD/KOC (pH 5.5): 1660.93; (8)ACD/KOC (pH 7.4): 1671.89; (9)#H bond acceptors: 8; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 62.4 Å²; (13)Flash Point: 394.7 °C; (14)Enthalpy of Vaporization: 106.41 kJ/mol; (15)Boiling Point: 729 °C at 760 mmHg; (16)Vapour Pressure: 4.17E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.N(=N/c2cc(/N=N/c1cc(c(N)cc1N)C)ccc2C)\c3c(cc(N)c(c3)C)N
(2)Std. InChI: InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H/b28-26+,29-27+;;
(3)Std. InChIKey: WLKAMFOFXYCYDK-CYXDXXRZSA-N

Product Name

BISMARCK BROWN R

Basic Brown 4 Specification

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