Azulene, 4-(iodomethyl)- supplier

Name
4-(IODOMETHYL)-AZULENE
EINECS
CAS No. 94771-39-8
Density 1.689 g/cm³
Solubility
Melting Point
Formula C₁₁H₉I
Boiling Point 331.3 °C at 760 mmHg
Molecular Weight 268.09
Flash Point 165.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Iodomethyl)azulene;
PSA 0.00000
LogP 3.72640

Azulene, 4-(iodomethyl)- Specification

The Azulene, 4-(iodomethyl)-, with CAS registry number 94771-39-8, has the systematic name of 4-(iodomethyl)azulene. Its molecular weight is 268.09. And the chemical formula of this chemical is C₁₁H₉I.

Physical properties of Azulene, 4-(iodomethyl)-: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1266.67; (6)ACD/BCF (pH 7.4): 1266.67; (7)ACD/KOC (pH 5.5): 5787.43; (8)ACD/KOC (pH 7.4): 5787.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 61.98 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 24.57×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.689 g/cm³; (19)Flash Point: 165.2 °C; (20)Enthalpy of Vaporization: 55.12 kJ/mol; (21)Boiling Point: 331.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000303 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICc2ccccc1cccc12
(2)InChI: InChI=1/C11H9I/c12-8-10-5-2-1-4-9-6-3-7-11(9)10/h1-7H,8H2
(3)InChIKey: FGSKQLOAIUDGNE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H9I/c12-8-10-5-2-1-4-9-6-3-7-11(9)10/h1-7H,8H2
(5)Std. InChIKey: FGSKQLOAIUDGNE-UHFFFAOYSA-N

Product Name

4-(IODOMETHYL)-AZULENE

Azulene, 4-(iodomethyl)- Specification

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