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502496-26-6 molecular structure
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(2,6-difluorophenyl)hydrazine hydrochloride

ChemBase ID: 94998
Molecular Formular: C6H7ClF2N2
Molecular Mass: 180.5829864
Monoisotopic Mass: 180.02658235
SMILES and InChIs

SMILES:
N(c1c(cccc1F)F)N.Cl
Canonical SMILES:
NNc1c(F)cccc1F.Cl
InChI:
InChI=1S/C6H6F2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
InChIKey:
RSOSGLCEIHAGQV-UHFFFAOYSA-N

Cite this record

CBID:94998 http://www.chembase.cn/molecule-94998.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,6-difluorophenyl)hydrazine hydrochloride
IUPAC Traditional name
(2,6-difluorophenyl)hydrazine hydrochloride
Synonyms
1,3-Difluoro-2-hydrazinobenzene hydrochloride
2,6-Difluorophenylhydrazine hydrochloride 97%
(2,6-difluorophenyl)hydrazine hydrochloride
2,6-Difluorophenylhydrazine hydrochloride
CAS Number
502496-26-6
MDL Number
MFCD03094169
PubChem SID
162081649
PubChem CID
24721343

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24721343 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.03523  H Acceptors
H Donor LogD (pH = 5.5) 1.6038383 
LogD (pH = 7.4) 1.6440024  Log P 1.6502923 
Molar Refractivity 36.1975 cm3 Polarizability 12.347007 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
177 - 179°C expand Show data source
Hydrophobicity(logP)
1.857 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon/Keep Cold expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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