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84282-78-0 molecular structure
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(3-chloro-4-fluorophenyl)hydrazine

ChemBase ID: 10427
Molecular Formular: C6H6ClFN2
Molecular Mass: 160.5766432
Monoisotopic Mass: 160.0203541
SMILES and InChIs

SMILES:
c1c(c(cc(c1)NN)Cl)F
Canonical SMILES:
NNc1ccc(c(c1)Cl)F
InChI:
InChI=1S/C6H6ClFN2/c7-5-3-4(10-9)1-2-6(5)8/h1-3,10H,9H2
InChIKey:
DUORBNTWCCJANU-UHFFFAOYSA-N

Cite this record

CBID:10427 http://www.chembase.cn/molecule-10427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-chloro-4-fluorophenyl)hydrazine
IUPAC Traditional name
(3-chloro-4-fluorophenyl)hydrazine
Synonyms
2-Chloro-1-fluoro-4-hydrazinobenzene
3-Chloro-4-fluorophenylhydrazine, tech
3-Chloro-4-fluorophenylhydrazine
3-Chloro-4-fluorophenylhydrazine
3-氯-4-氟苯肼
CAS Number
84282-78-0
MDL Number
MFCD00042214
Beilstein Number
4383747
PubChem SID
24882932
160973734
PubChem CID
2736575

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9481351  LogD (pH = 7.4) 2.109142 
Log P 2.111635  Molar Refractivity 40.7859 cm3
Polarizability 14.522857 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
72-76°C expand Show data source
74-76°C expand Show data source
74-79 °C(lit.) expand Show data source
74-79°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT-HARMFUL, KEEP COLD expand Show data source
Toxic/Irritant/Corrosive/Light Sensitive/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H318-H335 expand Show data source
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
95% expand Show data source
96% expand Show data source
Linear Formula
FC6H3(Cl)NHNH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 638374 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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