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1H-Indazole, 4-methyl-

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Name

1H-Indazole, 4-methyl-

EINECS N/A
CAS No. 3176-63-4 Density 1.186 g/cm3
PSA 28.68000 LogP 1.87130
Solubility N/A Melting Point 114-116℃
Formula C8H8N2 Boiling Point 285.1 °C at 760 mmHg
Molecular Weight 132.165 Flash Point 133.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 3176-63-4 (4-METHYL (1H)INDAZOLE) Hazard Symbols Xn
Synonyms

4-Methylindazole;1H-Indazola,4-methyl- (7CI);4-Methyl-1H-indazole;

Article Data 8

1H-Indazole, 4-methyl- Specification

The 1H-Indazole, 4-methyl-, with the CAS registry number 3176-63-4, has the systematic name of 4-methyl-1H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H8N2.

The characteristics of 1H-Indazole, 4-methyl- are as followings: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.82; (6)ACD/BCF (pH 7.4): 31.83; (7)ACD/KOC (pH 5.5): 414.2; (8)ACD/KOC (pH 7.4): 414.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 41.44 cm3; (15)Molar Volume: 111.3 cm3; (16)Polarizability: 16.42×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 133.3 °C; (20)Enthalpy of Vaporization: 50.31 kJ/mol; (21)Boiling Point: 285.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00491 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2cc1c(cccc1n2)C
(2)InChI: InChI=1/C8H8N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3,(H,9,10)
(3)InChIKey: ZYGYULIGJXJLRW-UHFFFAOYAY

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