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Allyltriphenylphosphonium bromide 97%

CAT: 0286-A15660-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-A15660-01Size:25 g
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CAS Number
1560-54-9
Synonyms
2-Propenyltriphenylphosphonium bromide
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00011808
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Allyltriphenylphosphonium bromide
CAS Number1560-54-9
PubChem CID197740
IUPAC Nametriphenyl(prop-2-enyl)phosphanium bromide
Molecular FormulaC21H20BrP
Molecular Weight383.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity284
SMILES
C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKey
FWYKRJUVEOBFGH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Allyltriphenylphosphonium bromide
CAS: 1560-54-9
CID: 197740
Formula: C21H20BrP
MW: 383.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass382.04860
Monoisotopic Mass382.04860
Topological Polar Surface Area0 Ų
Heavy Atom Count23
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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