1H-Indazole,3-bromo-5-methyl- supplier

Name
3-BROMO-5-METHYL (1H)INDAZOLE
EINECS
CAS No. 40598-72-9
Density 1.655 g/cm³
Solubility
Melting Point 158-159 °C(Solv: ligroine (8032-32-4))
Formula C₈H₇BrN₂
Boiling Point 345.003 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 162.452 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indazole,3-bromo-5-methyl- (2CI);
PSA 28.68000
LogP 2.63380

1H-Indazole,3-bromo-5-methyl- 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

Product Name

3-BROMO-5-METHYL (1H)INDAZOLE

1H-Indazole,3-bromo-5-methyl- Specification

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