(Bromomethyl)triphenylphosphonium bromide
PubChem CID
2733422
Structure
Molecular Formula
Synonyms
- (Bromomethyl)triphenylphosphonium bromide
- 1034-49-7
- MFCD00011864
- (Bromomethyl)triphenylphosphoniumbromide
- bromomethyl(triphenyl)phosphanium;bromide
Molecular Weight
436.1 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-07-19
- Modify:2025-01-18
See also: Bromomethyltriphenylphosphonium (annotation moved to).
Chemical Structure Depiction
3D Conformer of Parent
bromomethyl(triphenyl)phosphanium;bromide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C19H17BrP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YFTMLUSIDVFTKU-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)[P+](CBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H17Br2P
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- (Bromomethyl)triphenylphosphonium bromide
- 1034-49-7
- MFCD00011864
- (Bromomethyl)triphenylphosphoniumbromide
- bromomethyl(triphenyl)phosphanium;bromide
- bromomethyltriphenylphosphonium bromide
- C19H17Br2P
- Phosphonium, (bromomethyl)triphenyl-, bromide
- SCHEMBL320149
- DTXSID80908358
- NSC193751
- AKOS015833003
- bromomethyl triphenylphosphonium bromide
- bromomethyltriphenyl phosphonium bromide
- CS-W009666
- NSC-193751
- (bromomethyl)triphenylphosphanium bromide
- (BROMOMETHYL)TRIPHENYLPHOSPHONIUM
- bromomethyl(triphenyl)phosphonium bromide
- SY057474
- (Bromomethyl)(triphenyl)phosphanium bromide
- DB-005516
- B1206
- NS00042661
- F50203
- J-000969
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
436.1 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
435.94141 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
433.94346 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
253
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Bromomethyltriphenylphosphonium (annotation moved to)
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Phosphonium, (bromomethyl)triphenyl-, bromide (1:1)https://commonchemistry.cas.org/detail?cas_rn=1034-49-7
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox(Bromomethyl)(triphenyl)phosphanium bromidehttps://comptox.epa.gov/dashboard/DTXSID80908358CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- SpectraBase(BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDEhttps://spectrabase.com/spectrum/1DuhLFli9iw(bromomethyl)triphenylphosphonium bromidehttps://spectrabase.com/spectrum/4GBhhC6EOtx(BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDEhttps://spectrabase.com/spectrum/3idvbJU9b5D(Bromomethyl)triphenylphosphonium bromidehttps://spectrabase.com/spectrum/9e8b3LxMNmq(BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDEhttps://spectrabase.com/spectrum/C04Q0cpm1jGBromomethyltriphenylphosphonium bromidehttps://spectrabase.com/spectrum/KW30Cguc0zw(Bromomethyl)triphenylphosphonium bromidehttps://spectrabase.com/spectrum/79IJ5B4a8Qf(Bromomethyl)triphenylphosphonium bromidehttps://spectrabase.com/spectrum/8dQGgH3pBfC
- Wikidata(Bromomethyl)triphenylphosphonium bromidehttps://www.wikidata.org/wiki/Q72448250
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS