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2163-00-0 molecular structure
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1,6-dichlorohexane

ChemBase ID: 74494
Molecular Formular: C6H12Cl2
Molecular Mass: 155.06548
Monoisotopic Mass: 154.03160574
SMILES and InChIs

SMILES:
ClCCCCCCCl
Canonical SMILES:
ClCCCCCCCl
InChI:
InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey:
OVISMSJCKCDOPU-UHFFFAOYSA-N

Cite this record

CBID:74494 http://www.chembase.cn/molecule-74494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,6-dichlorohexane
IUPAC Traditional name
hexane, 1,6-dichloro-
Synonyms
1,6-Dichlorohexane
Hexamethylene dichloride
1,6-Dichlorohexane
六亚甲基二氯
1,6-二氯己烷
CAS Number
2163-00-0
EC Number
218-491-7
MDL Number
MFCD00001020
Beilstein Number
773673
PubChem SID
24894021
162039413
PubChem CID
16551

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9669645  LogD (pH = 7.4) 2.9669645 
Log P 2.9669645  Molar Refractivity 39.3676 cm3
Polarizability 15.443746 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-13°C expand Show data source
Boiling Point
204-205°C expand Show data source
87-90 °C/15 mmHg(lit.) expand Show data source
Flash Point
170.6 °F expand Show data source
73°C(163°F) expand Show data source
77 °C expand Show data source
Density
1.067 expand Show data source
1.068 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4568 expand Show data source
n20/D 1.457(lit.) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3082 expand Show data source
UN3082 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
36/37/38-52/53 expand Show data source
52/53 expand Show data source
Safety Statements
26-36-61 expand Show data source
61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H400-H410-H227 expand Show data source
GHS Precautionary statements
P210-P280-P273-P370+P378A-P403+P235-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
Cl(CH2)6Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212105 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D63809 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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