4-Iodo-2-methyl-1H-imidazole supplier

Name
2-METHYL-4(5)-IODO-1(H)-IMIDAZOLE
EINECS
CAS No. 73746-45-9
Article Data13
CAS DataBase
Density 2.094 g/cm³
Solubility
Melting Point 133 °C
Formula C₄H₅IN₂
Boiling Point 358.154 °C at 760 mmHg
Molecular Weight 208.002
Flash Point 170.406 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 1H-Imidazole,4-iodo-2-methyl- (9CI);4-Iodo-2-methyl-1H-imidazole;4-Iodo-2-methylimidazole;
PSA 28.68000
LogP 1.32270

4-Iodo-2-methyl-1H-imidazole Specification

The IUPAC name of 4-Iodo-2-methyl-1H-imidazole is 5-iodo-2-methyl-1H-imidazole. With the CAS registry number 73746-45-9, it is also named as 1H-Imidazole,5-iodo-2-methyl-. The product's molecular formula is C₄H₅IN₂ and its molecular weight is 208.

The other characteristics of 4-Iodo-2-methyl-1H-imidazole can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.864; (4)ACD/LogD (pH 7.4): 1.219; (5)ACD/BCF (pH 5.5): 2.184; (6)ACD/BCF (pH 7.4): 4.951; (7)ACD/KOC (pH 5.5): 48.025; (8)ACD/KOC (pH 7.4): 108.857; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 36.509 cm³; (15)Molar Volume: 99.328 cm³; (16)Polarizability: 14.473×10^-24cm³; (17)Surface Tension: 58.143 dyne/cm; (18)Density: 2.094 g/cm³; (19)Flash Point: 170.406 °C; (20)Melting Point: 133 °C; (21)Enthalpy of Vaporization: 57.982 kJ/mol; (22)Boiling Point: 358.154 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:Cc1[nH]c(cn1)I
InChI:InChI=1/C4H5IN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)
InChIKey:SEDSLMWYUQACGR-UHFFFAOYAC
Std. InChI:InChI=1S/C4H5IN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)
Std. InChIKey:SEDSLMWYUQACGR-UHFFFAOYSA-N

Product Name

2-METHYL-4(5)-IODO-1(H)-IMIDAZOLE

4-Iodo-2-methyl-1H-imidazole Specification

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