CAS No.615-45-2,2,5-DIAMINOTOLUENE DIHYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	615-45-2
Name:	2,5-DIAMINOTOLUENE DIHYDROCHLORIDE

Formula:	C₇H₁₂Cl₂N₂
Molecular Weight:	195.092
Synonyms:	1,4-Benzenediamine,2-methyl-, dihydrochloride (9CI);Toluene-2,5-diamine, dihydrochloride (8CI);p-Toluenediamine dihydrochloride;2-Methyl-1,4-benzenediamine hydrochloride;
Melting Point:	34-36°C(lit.)
Boiling Point:	273.7 °C at 760 mmHg
Flash Point:	140.6 °C
Solubility:	Soluble in water
PSA:	52.04000
LogP:	3.92580

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Chemistry

Molecular Structure of 2-Methyl-1,4-benzenediamine dihydrochloride (CAS NO.615-45-2):

IUPAC Name: 2-Methylbenzene-1,4-diamine dihydrochloride
Product Name: 2,5-Diaminotoluene dihydrochloride
Empirical Formula: C₇H₁₂Cl₂N₂
Molecular Weight: 195.0896
ACD/LogP: -0.22
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.97
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 3.22
ACD/KOC (pH 7.4): 17.01
H bond acceptors: 2
H bond donors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 6.48 Å²
Flash Point: 140.6 °C
Enthalpy of Vaporization: 51.2 kJ/mol
Boiling Point: 273.7 °C at 760 mmHg
Vapour Pressure: 0.00565 mmHg at 25°C
InChI
InChI=1/C7H10N2.2ClH/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,8-9H2,1H3;2*1H
Smiles
c1(c(ccc(c1)N)N)C.Cl.Cl
Classification Code: Agricultural Chemical; Experimental pesticide; Mutation data; Reproductive Effect; Unspecified / Unclassified pesticide

Toxicity Data With Reference

1.		mmo-sat 10 µg/plate		MUREAV Mutation Research. 245 (1990),15.
2.		orl-rat LDLo:100 mg/kg		NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),11.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion. Experimental teratogenic effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of NO_x and HCl. See also Chlorides.

Specification

2-Methyl-1,4-benzenediamine dihydrochloride , with CAS number of 615-45-2, can be called 2-Methyl-1,4-benzenediamine dihydrochloride ; 1,4-Benzenediamine, 2-methyl-, dihydrochloride ; 2,5-Diaminotoluene dihydrochloride ; Toluene, 2,5-diamine-, dihydrochloride .