1H-Indazole, 4-methyl- supplier

Name
4-METHYL (1H)INDAZOLE
EINECS
CAS No. 3176-63-4
Article Data8
CAS DataBase
Density 1.186 g/cm³
Solubility
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
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Methylindazole;1H-Indazola,4-methyl- (7CI);4-Methyl-1H-indazole;
PSA 28.68000
LogP 1.87130

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

Product Name

4-METHYL (1H)INDAZOLE

1H-Indazole, 4-methyl- Specification

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