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14065-32-8 molecular structure
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methyl 10-chloro-10-oxodecanoate

ChemBase ID: 147695
Molecular Formular: C11H19ClO3
Molecular Mass: 234.71976
Monoisotopic Mass: 234.10227215
SMILES and InChIs

SMILES:
COC(=O)CCCCCCCCC(=O)Cl
Canonical SMILES:
COC(=O)CCCCCCCCC(=O)Cl
InChI:
InChI=1S/C11H19ClO3/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3
InChIKey:
ZUUUAAZQEMFVSN-UHFFFAOYSA-N

Cite this record

CBID:147695 http://www.chembase.cn/molecule-147695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 10-chloro-10-oxodecanoate
IUPAC Traditional name
methyl 10-chloro-10-oxodecanoate
Synonyms
Methyl sebacoyl chloride
Methyl 10-chloro-10-oxodecanoate
甲基癸二酰氯
10-氯-10-氧代癸酸甲酯
CAS Number
14065-32-8
MDL Number
MFCD00192320
PubChem SID
24864876
162241881
PubChem CID
544219

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
401730 external link Add to cart Please log in.
Data Source Data ID
PubChem 544219 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9481528  LogD (pH = 7.4) 2.9481528 
Log P 2.9481528  Molar Refractivity 59.7706 cm3
Polarizability 23.732565 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
159-160 °C/9 mmHg(lit.) expand Show data source
Flash Point
159.8 °F expand Show data source
71 °C expand Show data source
Density
1.052 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.453(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
16-23-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
ClCO(CH2)8CO2CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 401730 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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