CAS No.599191-73-8,4-Iodo-1H-indazol-3-ylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	599191-73-8
Name:	4-Iodo-1H-indazol-3-ylamine
Article Data:	21

Formula:	C₇H₆IN₃
Molecular Weight:	259.049
Synonyms:	4-iodo-1H-indazol-3-amine;
Density:	2.169 g/cm³
Melting Point:	154-155°C
Boiling Point:	452.167 °C at 760 mmHg
Flash Point:	227.262 °C
PSA:	54.70000
LogP:	2.33090

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Specification

The 4-Iodo-1H-indazol-3-ylamine, with CAS registry number 599191-73-8, has the systematic name of 4-iodo-1H-indazol-3-amine. Besides this, it is also calle 3-Amino-4-iodo-1H-indazole. And the chemical formula of this chemical is C₇H₆IN₃.

Physical properties of 4-Iodo-1H-indazol-3-ylamine: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.605; (4)ACD/LogD (pH 7.4): 2.605; (5)ACD/BCF (pH 5.5): 56.158; (6)ACD/BCF (pH 7.4): 56.244; (7)ACD/KOC (pH 5.5): 621.8; (8)ACD/KOC (pH 7.4): 622.752; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.7 Å²; (13)Index of Refraction: 1.859; (14)Molar Refractivity: 53.763 cm³; (15)Molar Volume: 119.448 cm³; (16)Polarizability: 21.313×10^-24cm³; (17)Surface Tension: 88.437 dyne/cm; (18)Density: 2.169 g/cm³; (19)Flash Point: 227.262 °C; (20)Enthalpy of Vaporization: 71.134 kJ/mol; (21)Boiling Point: 452.167 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)I)c(n[nH]2)N
(2)InChI: InChI=1/C7H6IN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)
(3)InChIKey: OEQIVIYSUJXCFG-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6IN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)
(5)Std. InChIKey: OEQIVIYSUJXCFG-UHFFFAOYSA-N