CAS No.7411-49-6,3,3',4,4'-Biphenyltetramine tetrahydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7411-49-6
Name:	3,3',4,4'-Biphenyltetramine tetrahydrochloride

Formula:	C₁₂H₁₄N₄^.4(HCl)
Molecular Weight:	360.114
Synonyms:	3,3',4,4'-Biphenyltetramine,tetrahydrochloride (8CI);[1,1'-Biphenyl]-3,3',4,4'-tetramine, tetrahydrochloride(9CI);3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride;3,3'-Diaminobenzidinehydrochloride;3,3'-Diammoniumbenzidinium tetrachloride;3,4,3',4'-Tetraaminobiphenyltetrahydrochloride;3,3',4,4'-Biphenyltetramine tetrahydrochloride;
EINECS:	231-018-9
Melting Point:	300 °C
Boiling Point:	481.7 °C at 760 mmHg
Flash Point:	282.7 °C
Solubility:	Soluble in water
Appearance:	grey solid
Hazard Symbols:	F,T,Xn
Risk Codes:	36/38-39/23/24/25-40-20/21/22
Safety:	7-16-33-45-24/25-22-36/37/39
Transport Information:	UN 3316 9/PG 2
PSA:	104.08000
LogP:	7.21520

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans

Specification

The 3,3',4,4'-Biphenyltetramine tetrahydrochloride, with the CAS registry number 7411-49-6, is also known as 3,3'-Diaminobenzidine tetrahydrochloride. It belongs to the product categories of Industrial/Fine Chemicals; Enzyme substrates; Blotting/Histochemistry Substrates Western Blotting; Blotting/Histochemistry Substrates Immunohistochemistry; Liquid Substrate Systems Immunohistochemistry; Alkaline Phosphatase; Alphabetical ListingSubstrates, Buffers & Blockers; Detection Substrates. Its EINECS number is 231-018-9. This chemical's molecular formula is C₁₂H₁₄N₄^.4(HCl) and molecular weight is 360.11. What's more, its systematic name is 3,3',4,4'-Biphenyltetramine tetrahydrochloride. Its classification code is Tumor data. It is used as a substrate for peroxidase, and a reagent for the spectrophotometric determination of selenium. This chemical should be sealed and stored in a cool and dry place.

Physical properties of 3,3',4,4'-Biphenyltetramine tetrahydrochloride are: (1)ACD/LogP: -0.761; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 8.21; (8)ACD/KOC (pH 7.4): 9.18; (9)#H bond acceptors: 4; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.96 Å²; (13)Flash Point: 282.7 °C; (14)Enthalpy of Vaporization: 74.64 kJ/mol; (15)Boiling Point: 481.7 °C at 760 mmHg; (16)Vapour Pressure: 1.95E-09 mmHg at 25°C.

Uses of 3,3',4,4'-Biphenyltetramine tetrahydrochloride: it can be used to produce 4-[2-(4-methoxy-phenyl)-3H-benzoimidazol-5-yl]-benzene-1,2-diamine at the temperature of 100 °C. It will need regent PPMA with the reaction time of 2 hours. The yield is about 32%.

3,3',4,4'-Biphenyltetramine tetrahydrochloride can be used to produce 4-[2-(4-methoxy-phenyl)-3H-benzoimidazol-5-yl]-benzene-1,2-diamine at the temperature of 100 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is toxic as it has a danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Moreover, it has a limited evidence of a carcinogenic effect. It is irritating to eyes and skin. You should not breathe dust. When using it, you must avoid contact with skin and eyes. You should keep container tightly closed and keep it away from sources of ignition - No smoking. You must take precautionary measures against static discharges. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you need to seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Cl.Cl.c2(c1cc(N)c(N)cc1)ccc(N)c(N)c2
(2)Std. InChI: InChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H
(3)Std. InChIKey: KJDSORYAHBAGPP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	330mg/kg (330mg/kg)		Progress Report for Contract No. NIH-NCI-E-68-1311, Submitted to the National Cancer Institut by Bio-Research Consultants, Inc. Vol. NCI-E-68-1311, Pg. 1973,