3-Amino-5-bromo-1H-indazole supplier

Name
5-BROMO-1H-INDAZOL-3-AMINE
EINECS
CAS No. 61272-71-7
Article Data10
CAS DataBase
Density 1.867g/cm³
Solubility
Melting Point 171-175°C
Formula C₇H₆BrN₃
Boiling Point 431.3 °C at 760 mmHg
Molecular Weight 212.049
Flash Point 214.7 °C
Transport Information
Appearance
Safety 45-36/37/39-26-22
Risk Codes 25-36/37/38-22
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-5-bromo-1H-indazole;3-Amino-5-bromoindazole;5-Bromo-1H-indazol-3-amine;5-Bromo-1H-indazol-3-ylamine;
PSA 54.70000
LogP 2.48880

3-Amino-5-bromo-1H-indazole Specification

The 1H-Indazol-3-amine,5-bromo-, with CAS registry number 61272-71-7, belongs to the following product categories: (1)Amines; (2)Fused Ring Systems. It has the systematic name of 5-bromo-1H-indazol-3-amine. Besides this, it is also called 3-Amino-5-bromo-1H-indazole. And the chemical formula of this chemical is C₇H₆BrN₃.

Physical properties of 1H-Indazol-3-amine,5-bromo-: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.82; (6)ACD/BCF (pH 7.4): 5.83; (7)ACD/KOC (pH 5.5): 122.69; (8)ACD/KOC (pH 7.4): 122.87; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.8; (14)Molar Refractivity: 48.54 cm³; (15)Molar Volume: 113.5 cm³; (16)Polarizability: 19.24×10^-24cm³; (17)Surface Tension: 81.4 dyne/cm; (18)Density: 1.867 g/cm³; (19)Flash Point: 214.7 °C; (20)Enthalpy of Vaporization: 68.69 kJ/mol; (21)Boiling Point: 431.3 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)nnc2N
(2)InChI: InChI=1/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
(3)InChIKey: OMPYFDJVSAMSMA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
(5)Std. InChIKey: OMPYFDJVSAMSMA-UHFFFAOYSA-N

Product Name

5-BROMO-1H-INDAZOL-3-AMINE

3-Amino-5-bromo-1H-indazole Specification

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