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| Name |
2-Methyl-1,4-benzenediamine dihydrochloride |
EINECS | N/A |
| CAS No. | 615-45-2 | Density | N/A |
| PSA | 52.04000 | LogP | 3.92580 |
| Solubility | Soluble in water | Melting Point |
34-36°C(lit.) |
| Formula | C7H12Cl2N2 | Boiling Point | 273.7 °C at 760 mmHg |
| Molecular Weight | 195.092 | Flash Point | 140.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,4-Benzenediamine,2-methyl-, dihydrochloride (9CI);Toluene-2,5-diamine, dihydrochloride (8CI);p-Toluenediamine dihydrochloride;2-Methyl-1,4-benzenediamine hydrochloride; |
2-Methyl-1,4-benzenediamine dihydrochloride Chemical Properties
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
2-Methyl-1,4-benzenediamine dihydrochloride 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. |
2-Methyl-1,4-benzenediamine dihydrochloride Consensus Reports
Reported in EPA TSCA Inventory.
2-Methyl-1,4-benzenediamine dihydrochloride Safety Profile
Poison by ingestion. Experimental teratogenic effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also Chlorides.
2-Methyl-1,4-benzenediamine dihydrochloride 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 .
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