9,10,12,13-Tetrabromooctadecanoic acid
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Basic information
- CAS
1794-89-4- Standard SMILES
CCCCCC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O- InChIKey
HTORNZPNCYXGMR-UHFFFAOYSA-N- Molecular formula
- C18H32Br4O2
- Average molar mass
- 600.1 g/mol
- Monoisotopic mass
- 595.91358
Overview
9,10,12,13-Tetrabromo-stearic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 9,10,12,13-Tetrabromooctadecanoic acid
- IUPAC
- 9,10,12,13-tetrabromooctadecanoic acid
- English name
- 9,10,12,13-TETRABROMOSTEARIC ACID
- Molecular formula
- C18H32Br4O2
- Molecular weight
- 600.06
Names & synonyms
9,10,12,13-Tetrabromooctadecanoic acid1794-89-4EINECS 217-266-0DTXSID50939215NSC 148709RefChem:548501DTXCID701367721217-266-09,10,12,13-Tetrabromostearic acidOctadecanoic acid, 9,10,12,13-tetrabromo-MFCD000217969,10,12,13-tetrabromo-stearic acid
Show more names
Tetrabromostearicacid9,10,12,13-tetrabromooctadecanoicaci9,10,12,13-Tetrabromostearic Acid >9,10,12,13-TETRABROMOOCTADECANOIC ACIDOctadecanoic acid,9,10,12,13-tetrabromo-9,10,12,13-TETRABROMOSTEARIC ACID ISO 9001：2015 REACH
9,10,12,13-tetrabromo-octadecanoic acid9,10,12,13-TETRABROMOSTEARICACIDC18H32Br4O2SCHEMBL4801632CHEBI:165395ALBB-033400LMFA01090085NSC148709
Database identifiers
- CAS
1794-89-4- PubChem CID
- 98942
Properties
Computed structural propertiesFilling in
- XLogP
- 8.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 565.8 · 565.8±50.0 °C(Predicted)
- Density
- 1.602 · 1.602±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 1794 · 1794-89-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2915.90.1800
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 9,10,12,13-Tetrabromo-stearic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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