1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl- supplier

Name
2-ETHYL-4-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE
EINECS
CAS No. 88634-80-4
Density 1.134 g/cm³
Solubility
Melting Point 104 °C
Formula C₇H₁₀N₂O
Boiling Point 360.8 °C at 760 mmHg
Molecular Weight 138.169
Flash Point 175.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Imidazole-4-carboxaldehyde,2-ethyl-5-methyl- (9CI);2-Ethyl-4-methyl-1H-imidazole-5-carboxaldehyde;2-Ethyl-4-methyl-5-formylimidazole;2-Ethyl-4-methyl-5-imidazolecarboxaldehyde;2-Ethyl-5-formyl-4-methylimidazole;2-Ethyl-5-methyl-1H-imidazole-4-carboxaldehyde;
PSA 45.75000
LogP 1.09300

1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl- Specification

The 1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl-, with CAS registry number 88634-80-4, belongs to the following product category: Aldehyde. It has the systematic name of 2-ethyl-5-methyl-1H-imidazole-4-carbaldehyde. And the chemical formula of this chemical is C₇H₁₀N₂O.

Physical properties of 1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl-: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.2; (8)ACD/KOC (pH 7.4): 25.06; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 39.9 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 15.81×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.134 g/cm³; (19)Flash Point: 175.8 °C; (20)Enthalpy of Vaporization: 60.66 kJ/mol; (21)Boiling Point: 360.8 °C at 760 mmHg; (22)Vapour Pressure: 2.16E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nc(nc1C)CC
(2)InChI: InChI=1/C7H10N2O/c1-3-7-8-5(2)6(4-10)9-7/h4H,3H2,1-2H3,(H,8,9)
(3)InChIKey: RLBMKAXUSJOVJI-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H10N2O/c1-3-7-8-5(2)6(4-10)9-7/h4H,3H2,1-2H3,(H,8,9)
(5)Std. InChIKey: RLBMKAXUSJOVJI-UHFFFAOYSA-N

Product Name

2-ETHYL-4-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE

1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl- Specification

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