CAS No.10114-58-6,Basic Brown 1 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10114-58-6
Name:	Basic Brown 1

Formula:	C₁₈H₁₈N₈^.2ClH
Molecular Weight:	419.31
Synonyms:	1,3-Benzenediamine,4,4'-[1,3-phenylenebis(azo)]bis-, dihydrochloride (9CI);C.I. Basic Brown 1,dihydrochloride (8CI);Bismarck Brown Y;4,4'-[1,3-Phenylenebis(azo)]-bis[1,3-benzenediamine] dihydrochloride;
EINECS:	233-314-3
Density:	1.42g/cm3
Melting Point:	220ºC
Boiling Point:	696.4 °C at 760 mmHg
Flash Point:	375 °C
Solubility:	Soluble in water; Slightly soluble in ethanol; Insoluble in acetone, benzene and carbon tetrachloride
Appearance:	purple to red-brown crystals
Hazard Symbols:	Xn,F
Risk Codes:	20/21/22-11-36/37/38
Safety:	22-24/25-36/37/39-26-16
PSA:	153.52000
LogP:	8.77500

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Specification

The Basic Brown 1, with the CAS registry number 10114-58-6, is also known as 4,4'-[1,3-Phenylenebis(azo)]-bis[1,3-benzenediamine] dihydrochloride. It belongs to the product category of Organics. Its EINECS number is 233-314-3. This chemical's molecular formula is C₁₈H₁₈N₈^.2ClH and molecular weight is 419.31. What's more, its systematic name is 4,4'-[1,3-Phenylenedi(E)-2,1-diazenediyl]di(1,3-benzenediamine) dihydrochloride. This chemical should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. This substance is a diazo dye. It is used in histology for staining tissues. It stains acid mucins to yellow color. It can be used with live cells. It is also used to stain cartilage in bone specimens and in Feulgen stain to stain DNA. It was more common in the past; today it is partially replaced by other stains. This chemical is a constituent of Papanicolaou stains. It can also be used as a counterstain for Victoria blue R for staining of acid-fast microorganisms.

Physical properties of Basic Brown 1 are: (1)ACD/LogP: 2.014; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.86; (6)ACD/BCF (pH 7.4): 19.97; (7)ACD/KOC (pH 5.5): 295.14; (8)ACD/KOC (pH 7.4): 296.73; (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: 375 °C; (14)Enthalpy of Vaporization: 101.99 kJ/mol; (15)Boiling Point: 696.4 °C at 760 mmHg; (16)Vapour Pressure: 3.04E-19 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You must avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.N(=N/c1ccc(cc1N)N)\c3cccc(/N=N/c2ccc(N)cc2N)c3
(2)Std. InChI: InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H/b25-23+,26-24+;;
(3)Std. InChIKey: MCZVRBLCRZWFJH-SPBSJSFYSA-N