CAS No.3176-63-4,4-METHYL (1H)INDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3176-63-4
Name:	4-METHYL (1H)INDAZOLE
Article Data:	8

Formula:	C₈H₈N₂
Molecular Weight:	132.165
Synonyms:	4-Methylindazole;1H-Indazola,4-methyl- (7CI);4-Methyl-1H-indazole;
Density:	1.186 g/cm³
Melting Point:	114-116℃
Boiling Point:	285.1 °C at 760 mmHg
Flash Point:	133.3 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	28.68000
LogP:	1.87130

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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