Basic information
- Name:
1,2,4,5-Benzenetetramine, tetrahydrochloride
- Superlist Name:
- 1,2,4,5-Benzenetetramine tetrahydrochloride
- CAS No.:
4506-66-5
- Molecular Structure:
- Formula:
- C6H10N4.4(HCl)
- Molecular Weight:
- 284.01
- Synonyms:
- Benzene-1,2,4,5-tetrayltetraamine tetrahydrochloride;1,2,4,5-Benzenetetramine hydrochloride;1,2,4, 5-Tetraaminobenzene tetrahydrochloride;Benzene-1,2,4,5-tetramine;
- EINECS:
- 224-822-6
- Melting Point:
- ≥300 °C
- Boiling Point:
- 400.9 °C at 760 mmHg
- Flash Point:
- 233.6 °C
- Appearance:
- dark brown crystals
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The IUPAC name of 1,2,4,5-Benzenetetramine tetrahydrochloride is benzene-1,2,4,5-tetramine tetrahydrochloride. With the CAS registry number 4506-66-5, it is also named as 1,2,4,5-Benzenetetramine hydrochloride. Besides, it is dark brown crystals, which should be stored in a sealed, cool and dry place. In addition, its molecular formula is C6H10N4.4(HCl) and molecular weight is 284.01.
The other characteristics of 1,2,4,5-Benzenetetramine tetrahydrochloride can be summarized as: (1)EINECS: 224-822-6; (2)ACD/LogP: -2.71; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -3.34; (5)ACD/LogD (pH 7.4): -2.73; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 8; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 12.96 Å2; (14)Flash Point: 233.6 °C; (15)Melting Point: ≥300 °C; (16)Enthalpy of Vaporization: 65.18 kJ/mol; (17)Boiling Point: 400.9 °C at 760 mmHg; (18)Vapour Pressure: 1.23E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Cl.Cl.Cl.Nc1c(cc(N)c(N)c1)N
(2)InChI: InChI=1/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
(3)InChIKey: BZDGCIJWPWHAOF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
(5)Std. InChIKey: BZDGCIJWPWHAOF-UHFFFAOYSA-N
