Basic information
- CAS
5829-48-1- Standard SMILES
CCCCCCCCC(Cl)C(Cl)CCCCCCCC(=O)O- InChIKey
IOVDLGFDMIRNLE-UHFFFAOYSA-N- Molecular formula
- C18H34Cl2O2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 352.19358569
Overview
9,10-dichloro-octadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 9,10-Dichlorostearic acid
- IUPAC
- 9,10-dichlorooctadecanoic acid
- English name
- Dichlorostearic acid
- Molecular formula
- C18H34Cl2O2
- Molecular weight
- 353.37
Names & synonyms
9,10-Dichlorostearic aciddiCl stearic acidRefChem:9146605829-48-19,10-Dichlorooctadecanoic acid9,10-dichloro-octadecanoic acid18:0(9Cl,10Cl)Octadecanoic acid, 9,10-dichloro-orb1690438SCHEMBL10628254DTXSID10858751CHEBI:185524
Show more names
RARECHEM AL BE 0644Dichlorostearic acid
LMFA01090059AKOS040758208DB-333871HY-133621CS-0128447T406639,10-Dichlorostearic Acid; 9,10-Dichlorooctadecanoic acid; 9,10-Dichlorostearic acid
Database identifiers
- CAS
5829-48-1- PubChem CID
- 119221
- DTXSID
DTXSID10858751- ChEBI
CHEBI:185524- EC Number
- 690-156-1
- Nikkaji
- J330.597J
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Physicochemical properties
- Boiling point
- 457.219 · 457.219±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.028 · 1.028±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.775 · 4.775±0.10(predicted)
- EPA Substance Registry System
- 9 · 9,10-Dichlorostearic acid (5829-48-1)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
Uses9,10-Dichlorostearic Acid can be useful in metabolomics-guided isolation of anti-trypanosomal compounds from endophytic fungi of the mangrove plant avicennia lanata.
Upstream & downstream products
Downstream products
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Additional notes
DefinitionChEBI: 9,10-dichloro-octadecanoic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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