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86398-94-9 molecular structure
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[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine

ChemBase ID: 94910
Molecular Formular: C7H5Cl2F3N2
Molecular Mass: 245.0292096
Monoisotopic Mass: 243.97818819
SMILES and InChIs

SMILES:
N(c1c(cc(cc1Cl)C(F)(F)F)Cl)N
Canonical SMILES:
NNc1c(Cl)cc(cc1Cl)C(F)(F)F
InChI:
InChI=1S/C7H5Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2,14H,13H2
InChIKey:
FYOWOHMZNWQLFG-UHFFFAOYSA-N

Cite this record

CBID:94910 http://www.chembase.cn/molecule-94910.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
IUPAC Traditional name
[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
Synonyms
3,5-Dichloro-4-hydrazinobenzotrifluoride
2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine 98%
[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine
2,6-二氯-4-(三氟甲基)苯肼
CAS Number
86398-94-9
EC Number
000-000-0
MDL Number
MFCD00085001
Beilstein Number
8319619
PubChem SID
162081564
24865533
PubChem CID
688223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 688223 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.399522  H Acceptors
H Donor LogD (pH = 5.5) 3.3770397 
LogD (pH = 7.4) 3.4498148  Log P 3.4508262 
Molar Refractivity 51.348 cm3 Polarizability 18.104807 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
57-61°C expand Show data source
58-60 °C(lit.) expand Show data source
58-60°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38-40 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H312-H315-H319-H332-H335-H351 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
Cl2C6H2(CF3)NHNH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 410551 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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