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Molecule
ID:74494
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₂Cl₂
Molecular Mass
155.06548
Exact Mass
154.03160574
Charge
0
InChI
InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
OVISMSJCKCDOPU-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCCl
Isomeric Smiles
ClCCCCCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9669645
LogD (pH = 7.4)
2.9669645
Log P
2.9669645
Molar Refractivity
39.3676
Polarizability
15.443746
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
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JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC Traditional name
•
Synonyms
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IUPAC name
Registration numbers
Properties
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Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05212105
Apollo Scientific
OR10107
Sigma Aldrich
D63809
Alfa Aesar
B21763
Bide Pharmatech
BD55035
Academic Data
PubChem
16551
Names and Identifiers
IUPAC Traditional name
hexane, 1,6-dichloro-
Synonyms
1,6-Dichlorohexane
1,6-二氯己烷
1,6-Dichlorohexane
Hexamethylene dichloride
六亚甲基二氯
IUPAC name
1,6-dichlorohexane
Registration numbers
MDL Number
MFCD00001020
CAS Number
2163-00-0
EC Number
218-491-7
PubChem SID
24894021
162039413
Beilstein Number
773673
PubChem CID
16551
Molecule Details
MP Biomedicals
05212105
MP Biomedicals Rare Chemical collection
Sigma Aldrich
D63809
Packaging
5, 100, 500 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
EC Number
•
PubChem SID
•
Beilstein Number
•
PubChem CID
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
GHS Signal Word
Warning
Source
UN Number
3082
Source
UN3082
Source
1
Source
3
Source
III
Source
H315
-
H319
-
H335
Source
H400
-
H410
-
H227
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
26
-
36
-
61
Source
61
Source
Irritant (Xi)
P261
-
P305+P351+P338
Source
P210
-
P280
-
P273
-P370+P378A-
P403+P235
-P501A
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
UN 3082 9/PG 3
Source
36/37/38
-
52/53
Source
52/53
Source
9
Source
是
Source
Product Information
Download link
Source
Cl(CH2)6Cl
Source
98%
Source
95+%
Source
Physical Property
87-90 °C/15 mmHg(lit.)
Source
204-205°C
Source
n20/D 1.457(lit.)
Source
1.4568
Source
77 °C
Source
170.6 °F
Source
73°C(163°F)
Source
Source
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
Source
Source
Nature polluting (N)
Source
Density
1.068 g/mL at 25 °C(lit.)
Source
1.067
Source
Melting Point
-13°C
Source
German water hazard class
Packing Group
GHS Hazard statements
GHS Pictograms
Safety Statements
European Hazard Symbols
GHS Precautionary statements
Personal Protective Equipment
RID/ADR
Risk Statements
Hazard Class
TSCA Listed
Certificate of Analysis
Linear Formula
Purity
Boiling Point
Refractive Index
Flash Point