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| CAS No.: | 61929-24-6 |
|---|---|
| Name: | 2-Bromo-1,3,4-thiadiazole |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C2HBrN2S |
| Molecular Weight: | 165.013 |
| Synonyms: | 2-Bromo-1,3,4-thiadiazole; |
| Density: | 2.024 g/cm3 |
| Melting Point: | 70 °C |
| Boiling Point: | 214.311 °C at 760 mmHg |
| Flash Point: | 83.413 °C |
| Hazard Symbols: |
 Xi,Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 54.02000 |
| LogP: | 1.30060 |
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Specification
The 2-Bromo-1,3,4-thiadiazole, with CAS register number 61929-24-6, also can be called as 1,3,4-Thiadiazole,2-bromo-. The IUPAC Name of this chemical is 2-bromo-1,3,4-thiadiazole. It belongs to the product category of Heterocycles series, Halides, Oxadiazoles & Thiadiazoles, Oxadiazoles & Thiadiazoles.
Physical properties about 2-Bromo-1,3,4-thiadiazole are: (1)ACD/LogP: 1.25; (2)ACD/LogD (pH 5.5): 1.254; (3)ACD/LogD (pH 7.4): 1.254; (4)ACD/BCF (pH 5.5): 5.282; (5)ACD/BCF (pH 7.4): 5.282; (6)ACD/KOC (pH 5.5): 114.553; (7)ACD/KOC (pH 7.4): 114.553; (8)#H bond acceptors: 2; (9)Polar Surface Area: 54.02Å2; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 28.51 cm3; (12)Molar Volume: 81.545 cm3; (13)Polarizability: 11.302x10-24cm3; (14)Surface Tension: 62.439 dyne/cm; (15)Enthalpy of Vaporization: 43.227 kJ/mol; (16)Vapour Pressure: 0.229 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection and do not breathe dust. 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)Canonical SMILES: C1=NN=C(S1)Br
(2)InChI: InChI=1S/C2HBrN2S/c3-2-5-4-1-6-2/h1H
(3)InChIKey: DQBCRVIBTFHJLM-UHFFFAOYSA-N