4-Bromo-3-(chloromethyl)-1-methyl-1H-pyrazole

CAS
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CAS
915707-66-3
Size
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Purity
96%
Price
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Availability
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Quantity
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Catalog Number

ACM915707663

Product Name

4-Bromo-3-(chloromethyl)-1-methyl-1H-pyrazole

Structure

Structure

CAS

915707-66-3

Category

Bromine Series

Synonyms

4-bromo-3-(chloromethyl)-1-methyl-1h-pyrazole

IUPAC Name

4-bromo-3-(chloromethyl)-1-methylpyrazole

Molecular Weight

209.47

Molecular Formula

C₅H₆BrClN₂

Canonical SMILES

CN1C=C(C(=N1)CCl)Br

InChI Key

WHHNKVUVLZLAAM-UHFFFAOYSA-N

Boiling Point

279.9ºC at 760 mmHg

Melting Point

76.5ºC

Flash Point

123.1ºC

Density

1.73g/cm³

Exact Mass

207.94000

H-Bond Acceptor

1

H-Bond Donor

0

MSDS

COA

Spec Sheet

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What is the molecular formula of the compound?

The molecular formula is C5H6BrClN2.

What is the molecular weight of the compound?

The molecular weight is 209.47 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-bromo-3-(chloromethyl)-1-methylpyrazole.

What is the InChI Key of the compound?

The InChI Key is WHHNKVUVLZLAAM-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CN1C=C(C(=N1)CCl)Br.

What is the CAS number of the compound?

The CAS number is 915707-66-3.

What is the European Community (EC) number of the compound?

The EC number is 851-490-5.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.3.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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