Basic information
- Name:
2H-Tetrazol-5-amine,hydrate
- Superlist Name:
- 5-Aminotetrazole monohydrate
- CAS No.:
15454-54-3
- Molecular Structure:
- Formula:
- CH3N5.H2O
- Molecular Weight:
- 103.08
- Synonyms:
- 5-Aminotetrazolemonohydrate;1H-Tetrazole, 5-amino-, monohydrate (8CI);1H-Tetrazol-5-amine,monohydrate (9CI);
- EINECS:
- 224-581-7
- Boiling Point:
- 488.8 °C at 760 mmHg
- Flash Point:
- 249.4 °C
- Hazard Symbols:
Xn, 
Xi- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26 Details
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Specification
The 2H-Tetrazol-5-amine,hydrate is an organic compound with the formula CH5N5O. The IUPAC name of this chemical is 1H-Tetrazol-5-amine hydrate. With the CAS registry number 15454-54-3, it is also named as 5-Amino-1H-tetrazole monohydrate. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.
Physical properties about 2H-Tetrazol-5-amine,hydrate are: (1)# of Rule of 5 Violations: 1; (2)ACD/LogD (pH 7.4): ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 5; (9)Polar Surface Area: 80.48 Å2; (10)Flash Point: 249.4 °C; (11)Enthalpy of Vaporization: 79.51 kJ/mol; (12)Boiling Point: 488.8 °C at 760 mmHg; (13)Vapour Pressure: 2.29E-10 mmHg at 25 °C.
Uses of 2H-Tetrazol-5-amine,hydrate: it can be used to produce 2-Azido-4-phenyl-indeno[1,2-d]pyrimidin-5-one. It will need reagent AcOH and solvent ethanol with reaction time of 2 days. This reaction needs heating. The yield is about 38%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2
(2)InChIKey: JVSMPWHQUPKRNV-UHFFFAOYAX
(3)Std. InChI: InChI=1S/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2
(4)Std. InChIKey: JVSMPWHQUPKRNV-UHFFFAOYSA-N
