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3107-34-4 molecular structure
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[2-(trifluoromethyl)phenyl]hydrazine hydrochloride

ChemBase ID: 9257
Molecular Formular: C7H8ClF3N2
Molecular Mass: 212.6000296
Monoisotopic Mass: 212.03281061
SMILES and InChIs

SMILES:
c1cccc(c1NN)C(F)(F)F.Cl
Canonical SMILES:
NNc1ccccc1C(F)(F)F.Cl
InChI:
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-3-1-2-4-6(5)12-11;/h1-4,12H,11H2;1H
InChIKey:
ZUSWDTWYONAOPH-UHFFFAOYSA-N

Cite this record

CBID:9257 http://www.chembase.cn/molecule-9257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(trifluoromethyl)phenyl]hydrazine hydrochloride
IUPAC Traditional name
[2-(trifluoromethyl)phenyl]hydrazine hydrochloride
Synonyms
2-(Trifluoromethyl)phenylhydrazine hydrochloride
2-Hydrazinobenzotrifluoride hydrochloride
1-[2-(trifluoromethyl)phenyl]hydrazine hydrochloride
CAS Number
3107-34-4
MDL Number
MFCD00102619
PubChem SID
160972564
PubChem CID
12891828

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.315767  H Acceptors
H Donor LogD (pH = 5.5) 2.10269 
LogD (pH = 7.4) 2.2406607  Log P 2.2427368 
Molar Refractivity 41.7384 cm3 Polarizability 14.08499 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
220°C expand Show data source
220(dec.)°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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