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51309-10-5 molecular structure
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10-chlorodecan-1-ol

ChemBase ID: 146746
Molecular Formular: C10H21ClO
Molecular Mass: 192.72614
Monoisotopic Mass: 192.12809297
SMILES and InChIs

SMILES:
C(CCCCCCl)CCCCO
Canonical SMILES:
OCCCCCCCCCCCl
InChI:
InChI=1S/C10H21ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
InChIKey:
OTUSESJECXGMIV-UHFFFAOYSA-N

Cite this record

CBID:146746 http://www.chembase.cn/molecule-146746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-chlorodecan-1-ol
IUPAC Traditional name
1-decanol, 10-chloro-
Synonyms
10-Chloro-1-decanol
10-氯-1-癸醇
CAS Number
51309-10-5
EC Number
257-129-2
MDL Number
MFCD00004748
PubChem SID
24859419
162240938
PubChem CID
123526

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
323861 external link Add to cart Please log in.
Data Source Data ID
PubChem 123526 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 3.3906472 
LogD (pH = 7.4) 3.3906472  Log P 3.3906472 
Molar Refractivity 54.7206 cm3 Polarizability 21.581408 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
12-13 °C(lit.) expand Show data source
Boiling Point
126-128 °C/2 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.952 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.46(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
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
Purity
90% expand Show data source
Linear Formula
Cl(CH2)10OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 323861 external link
Other Notes
Remainder 1,10-dichlorodecane and 1,10-decanediol
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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