1H-1,2,4-Triazole,3-iodo- supplier

Name
1H-1,2,4-Triazole, 3-iodo-
EINECS
CAS No. 7411-20-3
Article Data4
CAS DataBase
Density 2.555 g/cm³
Solubility
Melting Point
Formula C₂H₂IN₃
Boiling Point 319.6 °C at 760 mmHg
Molecular Weight 194.962
Flash Point 147.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazole,3-iodo- (9CI);s-Triazole, 3-iodo- (7CI,8CI);
PSA 41.57000
LogP 0.40930

1H-1,2,4-Triazole,3-iodo- Specification

This chemical is called 1H-1,2,4-Triazole,3-iodo-, and its systematic name is 5-iodo-1H-1,2,4-triazole. With the molecular formula of C₂H₂IN₃, its molecular weight is 194.96. The CAS registry number of this chemical is 7411-20-3. Additionally, its product category is API intermediates.

Other characteristics of the 1H-1,2,4-Triazole,3-iodo- can be summarised as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 2.5; (7)ACD/KOC (pH 5.5): 76.44; (8)ACD/KOC (pH 7.4): 63.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 29.77 cm³; (15)Molar Volume: 76.2 cm³; (16)Polarizability: 11.8×10^-24cm³; (17)Surface Tension: 83.8 dyne/cm; (18)Density: 2.555 g/cm³; (19)Flash Point: 147.1 °C; (20)Enthalpy of Vaporization: 56.12 kJ/mol; (21)Boiling Point: 319.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000334 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Ic1ncnn1
2.InChI: InChI=1/C2H2IN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
3.InChIKey: KSCNOSBFEDSBOM-UHFFFAOYAK

Product Name

1H-1,2,4-Triazole, 3-iodo-

1H-1,2,4-Triazole,3-iodo- Specification

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