1-Methyl-1H-imidazole-4-carbaldehyde supplier

Name
1-Methyl-1H-imidazole-4-carbaldehyde
EINECS
CAS No. 17289-26-8
Article Data4
CAS DataBase
Density 1.14g/cm³
Solubility
Melting Point 68-69℃
Formula C₅H₆ N₂O
Boiling Point 300.1°C at 760 mmHg
Molecular Weight 110.115
Flash Point 135.3°C
Transport Information
Appearance
Safety Hazard Codes Xi
Hazard Note Irritant
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms Imidazole-4-carboxaldehyde,1-methyl- (6CI,8CI);1-Methyl-1H-imidazole-4-carboxaldehyde;1-Methylimidazole-4-carboxaldehyde;4-Formyl-1-methylimidazole;
PSA 34.89000
LogP 0.23260

1-Methyl-1H-imidazole-4-carbaldehyde Specification

The 1H-Imidazole-4-carboxaldehyde,1-methyl-, with the cas registry number 17289-26-8, has the systematic name of 1-methyl-1H-imidazole-4-carbaldehyde. And its product categories are various, including aldehydes; imidazoles & benzimidazoles.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.79; (2)ACD/LogD (pH 5.5): -0.79; (3)ACD/LogD (pH 7.4): -0.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.86; (7)ACD/KOC (pH 7.4): 8.88; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 34.89; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 30.71 cm³; (13)Molar Volume: 96 cm³; (14)Polarizability: 12.17 ×10^-24 cm³; (15)Surface Tension: 42 dyne/cm; (16)Density: 1.14 g/cm³; (17)Flash Point: 135.3 °C; (18)Enthalpy of Vaporization: 54.02 kJ/mol; (19)Boiling Point: 300.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00114 mmHg at 25°C.

You should be cautious while dealing with this chemical. Being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. Therefore, you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=Cc1ncn(c1)C
(2)InChI:InChI=1/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3
(3)InChIKey:CQZXDIHVSPZIGF-UHFFFAOYAP

Product Name

1-Methyl-1H-imidazole-4-carbaldehyde

1-Methyl-1H-imidazole-4-carbaldehyde Specification

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Hazard Codes	Xi
Hazard Note	Irritant