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Cas Database |
| Name |
5-Thiazolecarboxaldehyde, 2,4-dibromo- |
EINECS | N/A |
| CAS No. | 139669-95-7 | Density | 2.332 g/cm3 |
| PSA | 58.20000 | LogP | 2.48060 |
| Solubility | N/A | Melting Point |
99.8ºC |
| Formula | C4HBr2NO2S | Boiling Point | 317 °C at 760 mmHg |
| Molecular Weight | 270.932 | Flash Point | 145.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-37 | Risk Codes |
 Xi:Irritant; |
| Molecular Structure |
|
Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Synonyms |
2,4-Dibromothiazole-5-carboxaldehyde; |
Article Data | 9 |
5-Thiazolecarboxaldehyde, 2,4-dibromo- Specification
This chemical is called 5-Thiazolecarboxaldehyde, 2,4-dibromo-, and its systematic name is 2,4-dibromo-1,3-thiazole-5-carbaldehyde. With the molecular formula of C4HBr2NO2S, its molecular weight is 270.93. The CAS registry number of this chemical is 139669-95-7.
Other characteristics of the 5-Thiazolecarboxaldehyde, 2,4-dibromo- can be summarised as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.2 Å2; (7)Index of Refraction: 1.699; (8)Molar Refractivity: 44.86 cm3; (9)Molar Volume: 116.1 cm3; (10)Polarizability: 17.78×10-24cm3; (11)Surface Tension: 65.6 dyne/cm; (12)Density: 2.332 g/cm3; (13)Flash Point: 145.5 °C; (14)Enthalpy of Vaporization: 55.84 kJ/mol; (15)Boiling Point: 317 °C at 760 mmHg; (16)Vapour Pressure: 0.000396 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1sc(Br)nc1Br
2.InChI: InChI=1/C4HBr2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
3.InChIKey: FDBMZERYWBZSQS-UHFFFAOYAK
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