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| CAS No.: | 40598-72-9 |
|---|---|
| Name: | 3-BROMO-5-METHYL (1H)INDAZOLE |
| Molecular Structure: | |
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| Formula: | C8H7BrN2 |
| Molecular Weight: | 211.061 |
| Synonyms: | Indazole,3-bromo-5-methyl- (2CI); |
| Density: | 1.655 g/cm3 |
| Melting Point: | 158-159 °C(Solv: ligroine (8032-32-4)) |
| Boiling Point: | 345.003 °C at 760 mmHg |
| Flash Point: | 162.452 °C |
| PSA: | 28.68000 |
| LogP: | 2.63380 |
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Specification
The 1H-Indazole,3-bromo-5-methyl- is an organic compound with the formula C8H7BrN2. With the CAS registry number 40598-72-9, the systematic name of this chemical is 3-bromo-5-methyl-1H-indazole.
Physical properties about 1H-Indazole,3-bromo-5-methyl- are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.068; (3)ACD/LogD (pH 7.4): 3.068; (4)ACD/BCF (pH 5.5): 126.343; (5)ACD/BCF (pH 7.4): 126.34; (6)ACD/KOC (pH 5.5): 1111.472; (7)ACD/KOC (pH 7.4): 1111.449; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å2; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 49.135 cm3; (13)Molar Volume: 127.555 cm3; (14)Polarizability: 19.479×10-24cm3; (15)Surface Tension: 58.654 dyne/cm; (16)Density: 1.655 g/cm3; (17)Flash Point: 162.452 °C; (18)Enthalpy of Vaporization: 56.573 kJ/mol; (19)Boiling Point: 345.003 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2c(c1)c(n[nH]2)Br
(2)InChI: InChI=1/C8H7BrN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
(3)InChIKey: WCMSTEPRVSCYNM-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: WCMSTEPRVSCYNM-UHFFFAOYSA-N