4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazol

• CAS: 83467-28-1
• Catalog Number: ACM83467281
• Category: Bromine Series
• Molecular Weight: 203.08
• Molecular Formula: C₇H₁₁BrN₂
• Synonyms: 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole, 83467-28-1, 4-(2-Bromo-ethyl)-3,5-dimethyl-1H-pyrazole, 3,5-Dimethyl-4-(2-bromoethyl)-1H-pyrazole, AG-690/09405042, 4-(2-bromoethyl)-3,5-dimethylpyrazole, 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazol, ZINC00267575, AC1LCAKC, PubChem12761, SureCN1660409, ARONIS23735, AC1Q27T9, ARONIS023775, CTK5F0719, MolPort-000-145-129, AR-1F5846, SBB010155, STL069455, AKOS000365664
• IUPAC Name: 4-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole
• Canonical SMILES: CC1=C(C(=NN1)C)CCBr
• InChI Key: HGGLMDBNLJUEKA-UHFFFAOYSA-N
• Boiling Point: 308.4ºC at 760 mmHg
• Flash Point: 140.3ºC
• Density: 1.455g/cm³
• Exact Mass: 202.01100
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H11BrN2.

What is the molecular weight of the compound?

The molecular weight of the compound is 203.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole.

What is the InChI representation of the compound?

The InChI representation of the compound is InChI=1S/C7H11BrN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10).

What is the InChIKey of the compound?

The InChIKey of the compound is HGGLMDBNLJUEKA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=C(C(=NN1)C)CCBr.

What is the CAS number of the compound?

The CAS number of the compound is 83467-28-1.

What is the EC number of the compound?

The EC number of the compound is 695-914-5.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 1.

Is the compound a canonicalized compound?

Yes, the compound is canonicalized.