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

• Catalog Number: ACM51660652
• Product Name: 4-Iodo-1,3,5-trimethyl-1H-pyrazole
• CAS: 51660-65-2
• Category: Other
• Synonyms: 4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE;AKOS PAO-1279;BUTTPARK 154\11-07
• IUPAC Name: 4-iodo-1,3,5-trimethylpyrazole
• Molecular Weight: 236.05
• Molecular Formula: C₆H₉IN₂
• Canonical SMILES: CC1=C(C(=NN1C)C)I
• InChI Key: RUOGLHMRBURIEQ-UHFFFAOYSA-N
• Boiling Point: 246.9ºC at 760mmHg
• Melting Point: 72ºC
• Flash Point: 103.1ºC
• Density: 1.8g/cm³
• Exact Mass: 235.98100
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Safety Description: 24/25

Custom Q&A

What is the molecular formula of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The molecular formula is C6H9IN2.

What is the IUPAC name of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The IUPAC name is 4-iodo-1,3,5-trimethylpyrazole.

What is the molecular weight of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The molecular weight is 236.05 g/mol.

What is the InChI of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The InChI is InChI=1S/C6H9IN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3.

What is the InChIKey of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The InChIKey is RUOGLHMRBURIEQ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The canonical SMILES is CC1=C(C(=NN1C)C)I.

What is the CAS number of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The CAS number is 51660-65-2.

What is the EC number of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The EC number is 805-529-8.

What is the DSSTox Substance ID of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?

The DSSTox Substance ID is DTXSID60346956.

Is 4-Iodo-1,3,5-trimethyl-1H-pyrazole a canonicalized compound?

Yes, it is a canonicalized compound.