4-Isocyanato-1,3,5-trimethyl-1H-pyrazole

Base Information

• Chemical Name: 4-Isocyanato-1,3,5-trimethyl-1H-pyrazole
• CAS No.: 252956-48-2
• Molecular Formula: C7H9N3O
• Molecular Weight: 151.17
• Hs Code.: 2933199090
• European Community (EC) Number: 831-686-7
• DSSTox Substance ID: DTXSID80428167
• Mol file: 252956-48-2.mol

Synonyms:252956-48-2;4-Isocyanato-1,3,5-trimethyl-1H-pyrazole;4-Isocyanato-1,3-5-trimethyl-1H-pyrazole;4-isocyanato-1,3,5-trimethylpyrazole;1,3,5-Trimethyl-1H-pyrazol-4-yl isocyanate;SCHEMBL1045012;DTXSID80428167;MFCD07772794;AKOS006223406;AS-6262;FT-0748741;EN300-1700104;W-206945;4-Isocyanato-1,3,5-trimethyl-1H-pyrazole, AldrichCPR

Chemical Property of 4-Isocyanato-1,3,5-trimethyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.0541mmHg at 25°C
• Melting Point: 36 °C
• Refractive Index: 1.561
• Boiling Point: 234 °C at 760 mmHg
• PKA: 1.73±0.10(Predicted)
• Flash Point: 95.3 °C
• PSA: 47.25000
• Density: 1.14 g/cm³
• LogP: 1.00420
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

4-Isocyanato-1,3,5-trimethyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1C)C)N=C=O