7-Iodo-1H-indazole supplier | CasNO.945761-94-4

Name
7-IODO (1H)INDAZOLE
EINECS
CAS No. 945761-94-4
Article Data5
CAS DataBase
Density 2.082 g/cm³
Solubility
Melting Point
Formula C₇H₅IN₂
Boiling Point 358.2 °C at 760 mmHg
Molecular Weight 244.03
Flash Point 170.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-iodo-1H-indazole;
PSA 28.68000
LogP 2.16750

7-Iodo-1H-indazole Specification

The 1H-Indazole,7-iodo-, with the CAS registry number 945761-94-4, has the systematic name and IUPAC name of 7-iodo-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 C₇H₅IN₂.

The characteristics of 1H-Indazole,7-iodo- are as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.56; (6)ACD/BCF (pH 7.4): 86.56; (7)ACD/KOC (pH 5.5): 847.87; (8)ACD/KOC (pH 7.4): 847.86; (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: 1.787; (14)Molar Refractivity: 49.52 cm³; (15)Molar Volume: 117.1 cm³; (16)Polarizability: 19.63×10^-24cm³; (17)Surface Tension: 71.2 dyne/cm; (18)Density: 2.082 g/cm³; (19)Flash Point: 170.4 °C; (20)Enthalpy of Vaporization: 57.99 kJ/mol; (21)Boiling Point: 358.2 °C at 760 mmHg; (22)Vapour Pressure: 5.35E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2cn[nH]c2c(c1)I
(2)InChI: InChI=1/C7H5IN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
(3)InChIKey: JBCFWHAFVDMAEU-UHFFFAOYAM

Product Name

7-IODO (1H)INDAZOLE

7-Iodo-1H-indazole Specification

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