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39943-56-1 molecular structure
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(3,5-dichlorophenyl)hydrazine

ChemBase ID: 10430
Molecular Formular: C6H6Cl2N2
Molecular Mass: 177.03124
Monoisotopic Mass: 175.99080356
SMILES and InChIs

SMILES:
c1(cc(cc(c1)NN)Cl)Cl
Canonical SMILES:
NNc1cc(Cl)cc(c1)Cl
InChI:
InChI=1S/C6H6Cl2N2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,10H,9H2
InChIKey:
ZQOCIFROLPHOEF-UHFFFAOYSA-N

Cite this record

CBID:10430 http://www.chembase.cn/molecule-10430.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,5-dichlorophenyl)hydrazine
IUPAC Traditional name
(3,5-dichlorophenyl)hydrazine
Synonyms
3,5-Dichlorophenylhydrazine
3,5-Dichlorophenylhydrazine
3,5-二氯苯肼
CAS Number
39943-56-1
EC Number
000-000-0
MDL Number
MFCD00051527
Beilstein Number
3126965
PubChem SID
160973737
PubChem CID
600469

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 600469 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.712667  H Acceptors
H Donor LogD (pH = 5.5) 2.4275322 
LogD (pH = 7.4) 2.5708077  Log P 2.5729778 
Molar Refractivity 45.3743 cm3 Polarizability 16.671963 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
111-114°C expand Show data source
112-117°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT-HARMFUL expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
9-26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
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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