-
Name
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
- EINECS
- CAS No. 903130-08-5
- Article Data2
- CAS DataBase
- Density 2.17 g/cm3
- Solubility
- Melting Point
- Formula C5H7BrN4
- Boiling Point 384.8 °C at 760 mmHg
- Molecular Weight 239.50
- Flash Point 186.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-¨￠a]pyrazine;
- PSA 42.74000
- LogP 0.47260
3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride Specification
The CAS register number of 3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride is 903130-08-5. It also can be called as 1,2,4-Triazolo[4,3-a]pyrazine,3-bromo-5,6,7,8-tetrahydro- and the systematic name about this chemical is 3-bromo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine. It belongs to the Chiral chemicals.
Physical properties about 3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 6.86; (4)ACD/KOC (pH 7.4): 21.85; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)Polar Surface Area: 42.74Å2; (8)Index of Refraction: 1.835; (9)Molar Refractivity: 41.16 cm3; (10)Molar Volume: 93.3 cm3; (11)Polarizability: 16.31x10-24cm3; (12)Surface Tension: 75.1 dyne/cm; (13)Enthalpy of Vaporization: 63.35 kJ/mol; (14)Boiling Point: 384.8 °C at 760 mmHg; (15)Vapour Pressure: 3.99E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2nnc1CNCCn12
(2)InChI: InChI=1/C5H7BrN4/c6-5-9-8-4-3-7-1-2-10(4)5/h7H,1-3H2
(3)InChIKey: CDQFNNODMQLMFW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H7BrN4/c6-5-9-8-4-3-7-1-2-10(4)5/h7H,1-3H2
(5)Std. InChIKey: CDQFNNODMQLMFW-UHFFFAOYSA-N
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