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10027-07-3 molecular structure
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octanedioyl dichloride

ChemBase ID: 150844
Molecular Formular: C8H12Cl2O2
Molecular Mass: 211.08568
Monoisotopic Mass: 210.02143498
SMILES and InChIs

SMILES:
C(CCCC(=O)Cl)CCC(=O)Cl
Canonical SMILES:
ClC(=O)CCCCCCC(=O)Cl
InChI:
InChI=1S/C8H12Cl2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h1-6H2
InChIKey:
PUIBKAHUQOOLSW-UHFFFAOYSA-N

Cite this record

CBID:150844 http://www.chembase.cn/molecule-150844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octanedioyl dichloride
IUPAC Traditional name
octanedioyl dichloride
Synonyms
Suberic acid dichloride
Octanedioic acid dichloride
Suberoyl chloride
Octanedioyl chloride
Suberyl chloride
1,8-二辛酰氯
辛二酰氯
CAS Number
10027-07-3
MDL Number
MFCD00000764
PubChem SID
24854111
162245004
PubChem CID
534653

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 534653 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.446451  LogD (pH = 7.4) 2.446451 
Log P 2.446451  Molar Refractivity 49.658 cm3
Polarizability 19.443777 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
162-163 °C/15 mmHg(lit.) expand Show data source
162-163°C/15mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.172 expand Show data source
1.172 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4680 expand Show data source
n20/D 1.468(lit.) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
UN3094 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
II expand Show data source
Risk Statements
14-34 expand Show data source
34-14 expand Show data source
Safety Statements
26-27-36/37/39-3/7 expand Show data source
26-27-36/37/39-45 expand Show data source
TSCA Listed
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
H314-EUH014 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
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
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
97% expand Show data source
Linear Formula
ClCO(CH2)6COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 235547 external link
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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