Home > Compound List > Compound details
80025-72-5 molecular structure
click picture or here to close

(2,4,6-trifluorophenyl)hydrazine

ChemBase ID: 99852
Molecular Formular: C6H5F3N2
Molecular Mass: 162.1125096
Monoisotopic Mass: 162.04048283
SMILES and InChIs

SMILES:
N(c1c(cc(cc1F)F)F)N
Canonical SMILES:
NNc1c(F)cc(cc1F)F
InChI:
InChI=1S/C6H5F3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2
InChIKey:
KSKADWHKCXNUAA-UHFFFAOYSA-N

Cite this record

CBID:99852 http://www.chembase.cn/molecule-99852.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4,6-trifluorophenyl)hydrazine
IUPAC Traditional name
(2,4,6-trifluorophenyl)hydrazine
Synonyms
2-Hydrazino-1,3,5-trifluorobenzene
2,4,6-Trifluorophenylhydrazine 97+%
2,4,6-Trifluorophenylhydrazine
2,4,6-三氟苯肼
CAS Number
80025-72-5
MDL Number
MFCD03095329
PubChem SID
162086099
PubChem CID
19778399

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19778399 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.175102  H Acceptors
H Donor LogD (pH = 5.5) 1.75747 
LogD (pH = 7.4) 1.7925277  Log P 1.7929943 
Molar Refractivity 36.4139 cm3 Polarizability 12.223003 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
97-101°C expand Show data source
97-101°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon/Keep Cold expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle