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4232-72-8 molecular structure
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(2,3,5,6-tetrafluoro-4-methylphenyl)hydrazine

ChemBase ID: 150575
Molecular Formular: C7H6F4N2
Molecular Mass: 194.1295528
Monoisotopic Mass: 194.04671108
SMILES and InChIs

SMILES:
Cc1c(c(c(c(c1F)F)NN)F)F
Canonical SMILES:
NNc1c(F)c(F)c(c(c1F)F)C
InChI:
InChI=1S/C7H6F4N2/c1-2-3(8)5(10)7(13-12)6(11)4(2)9/h13H,12H2,1H3
InChIKey:
CVDWCBSQXLCCLU-UHFFFAOYSA-N

Cite this record

CBID:150575 http://www.chembase.cn/molecule-150575.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,3,5,6-tetrafluoro-4-methylphenyl)hydrazine
IUPAC Traditional name
(2,3,5,6-tetrafluoro-4-methylphenyl)hydrazine
Synonyms
(4-Methyl-2,3,5,6-tetrafluorophenyl)hydrazine
(4-甲基-2,3,5,6-四氟苯基)肼
CAS Number
4232-72-8
MDL Number
MFCD00012367
PubChem SID
162244736
PubChem CID
4596103

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
303496 external link Add to cart Please log in.
Data Source Data ID
PubChem 4596103 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.210136  H Acceptors
H Donor LogD (pH = 5.5) 2.4096663 
LogD (pH = 7.4) 2.434719  Log P 2.4491177 
Molar Refractivity 41.6715 cm3 Polarizability 13.855972 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
83-85 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3C6F4NHNH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 303496 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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