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Product No: CH3044

(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide, 95%

Name: (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide
Brand: Chempure

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CAS Number

52509-14-5

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About this item

IUPAC name	1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium;bromide
canonical smiles	C1COC(O1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
inchi	InChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1
inchi key	FRHRVQQUICVJDG-UHFFFAOYSA-M
molecular formula	C22H22BrO2P
synonyms	52509-14-5 (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide ((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide [(1,3-dioxolan-2-yl)methyl]triphenylphosphonium bromide (1,3-Dioxolan-2-yl)methyltriphenylphosphonium Bromide

Computed Properties

Molecular Weight:	429.3 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	5
Exact Mass:	428.05408 g/mol
Monoisotopic Mass:	428.05408 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	343
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

(2-(1,3-Dioxolan-2-yl)ethyl)triphenylphosphonium bromide

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide

(3,3-Diisopropoxypropyl)triphenylphosphonium bromide

Phosphorane, (1,3-dioxolan-2-yl-methylene)triphenyl-

Bromo[2-(1,3-dioxolan-2-yl)ethyl]triphenylphosphorane

Bromo-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-triphenyl-lambda5-phosphane

[(1,3-Dioxolan-2-yl)methyl](diphenyl)phosphane

Bromo-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-triphenyl-lambda5-phosphane

Bromo-[2-(1,3-dioxan-2-yl)ethyl]-triphenyl-lambda5-phosphane

(3,3-Di-isopropoxypropyl)tri-phenylphosphonium bromide

1,3-Dioxolan-2-ylmethyl-iodo-triphenyl-lambda5-phosphane

(1,3-Dioxolan-2-yl-methyl)-triphenylphosphonium bromide

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium;iodide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (91.3%) Acute Tox. 4 (89.13%) Skin Irrit. 2 (97.83%) Eye Irrit. 2A (97.83%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (89.13%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (89.13%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium;bromide
canonical smiles	C1COC(O1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
inchi	InChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1
inchi key	FRHRVQQUICVJDG-UHFFFAOYSA-M
molecular formula	C22H22BrO2P
synonyms	52509-14-5 (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide ((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide [(1,3-dioxolan-2-yl)methyl]triphenylphosphonium bromide (1,3-Dioxolan-2-yl)methyltriphenylphosphonium Bromide

Computed Properties

Molecular Weight:	429.3 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	5
Exact Mass:	428.05408 g/mol
Monoisotopic Mass:	428.05408 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	343
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

(2-(1,3-Dioxolan-2-yl)ethyl)triphenylphosphonium bromide

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide

(3,3-Diisopropoxypropyl)triphenylphosphonium bromide

Phosphorane, (1,3-dioxolan-2-yl-methylene)triphenyl-

Bromo[2-(1,3-dioxolan-2-yl)ethyl]triphenylphosphorane

Bromo-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-triphenyl-lambda5-phosphane

[(1,3-Dioxolan-2-yl)methyl](diphenyl)phosphane

Bromo-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-triphenyl-lambda5-phosphane

Bromo-[2-(1,3-dioxan-2-yl)ethyl]-triphenyl-lambda5-phosphane

(3,3-Di-isopropoxypropyl)tri-phenylphosphonium bromide

1,3-Dioxolan-2-ylmethyl-iodo-triphenyl-lambda5-phosphane

(1,3-Dioxolan-2-yl-methyl)-triphenylphosphonium bromide

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium;iodide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (91.3%) Acute Tox. 4 (89.13%) Skin Irrit. 2 (97.83%) Eye Irrit. 2A (97.83%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (89.13%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (89.13%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CH3044

(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide, 95%

Product No: CH3044

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CH3044

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?