CAS
96449-69-3 Purity
96%
96449-69-3 Purity
96%
![Butanamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-,monohydrochloride,(S)-](https://resource.alfa-chemistry.com/structure/96450-12-3.gif)
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1H-Pyrazole,1-(2-chloroethyl)-
CAS
96450-53-2
Catalog Number
ACM96450532
Category
Other Products
Molecular Weight
130.58
Molecular Formula
C5H7ClN2
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Specification
Synonyms
1-(2-chloroethyl)-1H-pyrazole, ZINC01393361, BB_SC-5015, 1H-pyrazole, 1-(2-chloroethyl)-, CID642214, STK027544, InChI=1/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H, 96450-53-2
IUPAC Name
1-(2-chloroethyl)pyrazole
Canonical SMILES
C1=CN(N=C1)CCCl
InChI Key
HUZHIOQELFFZBM-UHFFFAOYSA-N
Boiling Point
202.7ºC at 760mmHg
Flash Point
76.4ºC
Density
1.19g/cm³
Exact Mass
130.03000
H-Bond Acceptor
1
H-Bond Donor
0
What is the PubChem CID of the compound?
The PubChem CID of the compound is 642214.
What is the molecular formula of the compound?
The molecular formula of the compound is C5H7ClN2.
What are the synonyms for the compound?
The synonyms for the compound are 1-(2-chloroethyl)-1H-pyrazole, 96450-53-2, 1-(2-chloroethyl)pyrazole, MFCD00173067.
What is the molecular weight of the compound?
The molecular weight of the compound is 130.57 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(2-chloroethyl)pyrazole.
What is the InChIKey of the compound?
The InChIKey of the compound is HUZHIOQELFFZBM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CN(N=C1)CCCl.
What is the CAS number of the compound?
The CAS number of the compound is 96450-53-2.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 0.1.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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