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CAS No.: | 16969-06-5 |
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Name: | 2,4,5,6-tetrachloro-m-xylene-alpha,alpha'-diamine |
Molecular Structure: | |
Formula: | C8H8Cl4N2 |
Molecular Weight: | 273.977 |
Synonyms: | m-Xylene-α,α'-diamine, 2,4,5,6-tetrachloro- (7CI,8CI);2,4,5,6-Tetrachloro-m-xylylenediamine;NSC 100731;2,4,5,6-Tetrachloro-m-xylene-α,α'-diamine;(2,4,5,6-Tetrachlorobenzene-1,3-diyl)dimethanamine;1,3-Bis(aminomethyl)-2,4,5,6-tetrachlorobenzene;1,3-Benzenedimethanamine, 2,4,5,6-tetrachloro- (9CI); |
EINECS: | 241-044-2 |
Density: | 1.546 g/cm3 |
Boiling Point: | 369.1 °C at 760 mmHg |
Flash Point: | 177 °C |
PSA: | 52.04000 |
LogP: | 4.61820 |
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The 1,3-Benzenedimethanamine,2,4,5,6-tetrachloro-, with the CAS registry number 16969-06-5, is also known as 2,4,5,6-Tetrachloro-m-xylene-α,α'-diamine. Its EINECS number is 241-044-2. This chemical's molecular formula is C8H8Cl4N2 and molecular weight is 273.97. What's more, its systematic name is (2,4,5,6-Tetrachlorobenzene-1,3-diyl)dimethanamine.
Physical properties of 1,3-Benzenedimethanamine,2,4,5,6-tetrachloro- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.17; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 17.07; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 62.73 cm3; (15)Molar Volume: 177.2 cm3; (16)Polarizability: 24.87×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.546 g/cm3; (19)Flash Point: 177 °C; (20)Enthalpy of Vaporization: 61.58 kJ/mol; (21)Boiling Point: 369.1 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CN)Cl)N
(2)InChI: InChI=1S/C8H8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/h1-2,13-14H2
(3)InChIKey: DVUBTXDOKVCRID-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04556, |