Methyl 9,10-dibromostearate
Basic information
- CAS
25456-04-6- Standard SMILES
CCCCCCCCC(Br)C(Br)CCCCCCCC(=O)OC- InChIKey
QNMTXFWVHQDSNR-UHFFFAOYSA-N- Molecular formula
- C19H36Br2O2
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 454.10821
Names & identifiers
- Preferred name
- Methyl 9,10-dibromostearate
- IUPAC
- methyl 9,10-dibromooctadecanoate
- English name
- Methyl 9,10-dibromostearate
- Molecular formula
- C19H36Br2O2
- Molecular weight
- 456.3
Names & synonyms
Methyl 9,10-dibromostearate25456-04-69,10-Dibromostearic acid methyl esterDTXSID40336572Octadecanoic acid, 9,10-dibromo-, methyl esterRefChem:356472DTXCID90287661QNMTXFWVHQDSNR-UHFFFAOYSA-NMethyl 9,10-dibromooctadecanoateMETHYL9,10-DIBROMOSTEARATEC19H36Br2O2METHYL 910-DIBROMOSTEARATE
Show more names
9,10-dibromoacidmethyl ester9,10-Dibromooctadecanoic acid methyl ester
ABA45604Methyl 9,10-dibromooctadecanoate #MFCD00045039AS-77357DB-046704D93279F817374
Database identifiers
- CAS
25456-04-6- PubChem CID
- 534672
- DTXSID
DTXSID40336572- Nikkaji
- J110.839E
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 445.8 · 445.8±25.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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