2-Bromo-5-nitro-1,3,4-thiadiazole supplier

Name
2-Bromo-5-nitro-1,3,4-thiadiazole
EINECS
CAS No. 22758-10-7
Density 2.248 g/cm³
Solubility
Melting Point 102-103 °C
Formula C₂BrN₃O₂S
Boiling Point 366.5 °C at 760 mmHg
Molecular Weight 210.011
Flash Point 175.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,4-Thiadiazole, 2-bromo-5-nitro-;
PSA 99.84000
LogP 1.73200

2-Bromo-5-nitro-1,3,4-thiadiazole Specification

The 2-Bromo-5-nitro-1, 3, 4-thiadiazole, with the CAS registry number 22758-10-7, is also known as 1, 3, 4-thiadiazole, 2-bromo-5-nitro-. This chemical's molecular formula is C₂BrN₃O₂S and molecular weight is 210.011. What's more, its systematic name is 2-Bromo-5-nitro-1, 3, 4-thiadiazole.

Physical properties about 2-Bromo-5-nitro-1, 3, 4-thiadiazole are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.41; (6)ACD/BCF (pH 7.4): 11.41; (7)ACD/KOC (pH 5.5): 198.8; (8)ACD/KOC (pH 7.4): 198.8; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 99.84 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 35.05 cm³; (15)Molar Volume: 93.3 cm³; (16)Polarizability: 13.89×10^-24 cm³; (17)Surface Tension: 86.3 dyne/cm; (18)Density: 2.248 g/cm³; (19)Flash Point: 175.5 °C; (20)Enthalpy of Vaporization: 58.88 kJ/mol; (21)Boiling Point: 366.5 °C at 760 mmHg; (22)Vapour Pressure: 3.07E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1nnc(Br)s1
(2) InChI: InChI=1/C2BrN3O2S/c3-1-4-5-2(9-1)6(7)8
(3) InChIKey: MMLSYAVGEQIGQC-UHFFFAOYAH

Product Name

2-Bromo-5-nitro-1,3,4-thiadiazole

2-Bromo-5-nitro-1,3,4-thiadiazole Specification

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