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64172-78-7 molecular structure
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(4-chloro-2-fluorophenyl)hydrazine hydrochloride

ChemBase ID: 15023
Molecular Formular: C6H7Cl2FN2
Molecular Mass: 197.0375832
Monoisotopic Mass: 195.99703181
SMILES and InChIs

SMILES:
c1c(cc(c(c1)NN)F)Cl.Cl
Canonical SMILES:
NNc1ccc(cc1F)Cl.Cl
InChI:
InChI=1S/C6H6ClFN2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
InChIKey:
HPKBNVJFGMBBFK-UHFFFAOYSA-N

Cite this record

CBID:15023 http://www.chembase.cn/molecule-15023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chloro-2-fluorophenyl)hydrazine hydrochloride
IUPAC Traditional name
(4-chloro-2-fluorophenyl)hydrazine hydrochloride
Synonyms
4-Chloro-2-fluorophenylhydrazine hydrochloride
(4-chloro-2-fluorophenyl)hydrazine hydrochloride
CAS Number
64172-78-7
MDL Number
MFCD06245512
PubChem SID
160978330
PubChem CID
2782933

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.269342  H Acceptors
H Donor LogD (pH = 5.5) 2.0262692 
LogD (pH = 7.4) 2.110336  Log P 2.111635 
Molar Refractivity 40.7859 cm3 Polarizability 14.491026 Å3
Polar Surface Area 38.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
234-235°C(dec) expand Show data source
234-235(dec.)°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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