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609-20-1 molecular structure
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2,6-dichlorobenzene-1,4-diamine

ChemBase ID: 88886
Molecular Formular: C6H6Cl2N2
Molecular Mass: 177.03124
Monoisotopic Mass: 175.99080356
SMILES and InChIs

SMILES:
Clc1cc(cc(c1N)Cl)N
Canonical SMILES:
Nc1cc(Cl)c(c(c1)Cl)N
InChI:
InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2
InChIKey:
HQCHAOKWWKLXQH-UHFFFAOYSA-N

Cite this record

CBID:88886 http://www.chembase.cn/molecule-88886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichlorobenzene-1,4-diamine
IUPAC Traditional name
2,6-dichlorobenzene-1,4-diamine
Synonyms
1,4-Diamino-2,6-dichlorobenzene
2,6-Dichloro-1,4-phenylenediamine 98%
2,5-Diamino-1,3-dichlorobenzene
2,6-Dichloro-p-phenylenediamine
2,5-二氨基-1,3-二氯苯
2,6-二氯对苯二胺
CAS Number
609-20-1
EC Number
210-184-6
MDL Number
MFCD00025369
Beilstein Number
2209257
PubChem SID
162075784
24862294
PubChem CID
11860

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11860 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4938159  LogD (pH = 7.4) 1.5230967 
Log P 1.5234833  Molar Refractivity 45.0684 cm3
Polarizability 16.412159 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
122-127 °C expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
SS9175000 expand Show data source
European Hazard Symbols
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
22-36-40-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H319-H334-H351 expand Show data source
GHS Precautionary statements
P261-P281-P305 + P351 + P338-P342 + P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, 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
≥98.0% (GC) expand Show data source
Empirical Formula (Hill Notation)
C6H6Cl2N2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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