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| CAS No.: | 81864-15-5 |
|---|---|
| Name: | 1,3-BENZODIOXOLE-5,6-DIAMINE DIHYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H10Cl2N2O2 |
| Molecular Weight: | 225.075 |
| Synonyms: | 1,3-Benzodioxole-5,6-diamine,dihydrochloride (9CI); |
| Melting Point: | 247-249 °C |
| Boiling Point: | 394.6 °C at 760 mmHg |
| Flash Point: | 192.4 °C |
| Appearance: | light brown solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 70.50000 |
| LogP: | 3.34610 |
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- Total:12 Page 1 of 1 1
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Specification
The 1,3-Benzodioxole-5,6-diamine,hydrochloride (1:2), with the CAS registry number 81864-15-5, is also known as 5,6-Diamino-1,3-benzodioxole dihydrochloride. It belongs to the product categories of Amines; Benzodiozoles, Benzodioxines & Benzodioxepines; Aldehyde Labeling Reagents; Aromatics. This chemical's molecular formula is C7H10Cl2N2O2 and molecular weight is 225.07. What's more, both its IUPAC name and systematic name are the same which is called 1,3-Benzodioxole-5,6-diamine dihydrochloride. This chemical is light brown solid. And it can be used as a highly sensitive reagent for a-keto acids and a fluorometric labeling reagent.
Physical properties about 1,3-Benzodioxole-5,6-diamine,hydrochloride (1:2) are: (1) # of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 18.03; (5) ACD/KOC (pH 7.4): 20.47; (6) #H bond acceptors: 4; (7) #H bond donors: 4; (8) #Freely Rotating Bonds: 2; (9) Polar Surface Area: 70.5 Å2; (10) Flash Point: 192.4 °C; (11) Enthalpy of Vaporization: 65.72 kJ/mol; (12) Boiling Point: 394.6 °C at 760 mmHg; (13) Vapour Pressure: 1.3E-06 mmHg at 25 °C; (14) Melting Point: 247-249 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.Nc1cc2OCOc2cc1N
(2) InChI: InChI=1/C7H8N2O2.2ClH/c8-4-1-6-7(2-5(4)9)11-3-10-6;;/h1-2H,3,8-9H2;2*1H
(3) InChIKey: YXEJRYIEFFUUID-UHFFFAOYAX