CAS No.3566-44-7,VARIAMINE BLUE B Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3566-44-7
Name:	VARIAMINE BLUE B

Formula:	C₁₃H₁₅ClN₂O
Molecular Weight:	250.72
Synonyms:	1,4-Benzenediamine,N-(4-methoxyphenyl)-, monohydrochloride (9CI);Variamine Blue (6CI);p-Phenylenediamine,N-(p-methoxyphenyl)-, monohydrochloride (8CI);4-Amino-4'-methoxydiphenylaminemonohydrochloride;N-(4-Methoxyphenyl)-p-phenylenediamine monohydrochloride;Variamine Blue B hydrochloride;
EINECS:	222-652-7
Density:	1.178 g/cm³
Melting Point:	249-255 °C(lit.)
Boiling Point:	388.7 °C at 760 mmHg
Flash Point:	188.9 °C
Solubility:	Soluble in water
Appearance:	Grey-blue crystalline powder
Hazard Symbols:	T
Risk Codes:	23/24/25
Safety:	36/37/39-45
PSA:	47.28000
LogP:	4.47720

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Specification

The 1,4-Benzenediamine,N1-(4-methoxyphenyl)-, hydrochloride (1:1), with the CAS registry number 3566-44-7, is also known as 1,4-Benzenediamine, N-(4-methoxyphenyl)-, monohydrochloride. Its EINECS number is 222-652-7. This chemical's molecular formula is C₁₃H₁₅ClN₂O and molecular weight is 250.72. What's more, its systematic name is N-(4-methoxyphenyl)benzene-1,4-diamine hydrochloride (1:1). It should be sealed and stored in dark, ventilated and dry places.

Physical properties of 1,4-Benzenediamine,N1-(4-methoxyphenyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 5.1; (7)ACD/KOC (pH 5.5): 80.41; (8)ACD/KOC (pH 7.4): 111.58; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å²; (13)Flash Point: 188.9 °C; (14)Enthalpy of Vaporization: 63.79 kJ/mol; (15)Boiling Point: 388.7 °C at 760 mmHg; (16)Vapour Pressure: 3.01E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cl.O(c2ccc(Nc1ccc(N)cc1)cc2)C
(2)InChI: InChI=1/C13H14N2O.ClH/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;/h2-9,15H,14H2,1H3;1H
(3)InChIKey: HPQQXLXIGHOKNZ-UHFFFAOYAN