(4-Carboxybutyl)triphenylphosphonium bromide - ≥98% , CAS No.17814-85-6

CAS: 17814-85-6 Cat. No.: C119829 Molecular Weight: 443.31 Beilstein Registry Number: 3586477 EC Number: 241-782-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AC-29279 | J-501381 | MLOSJPZSZWUDSK-UHFFFAOYSA-N | SCHEMBL163452 | SY002381 | AMY39331 | triphenyl (4-carboxybutyl)phosphonium bromide | 4-(Carboxybutyl)triphenylphosphonium Bromide | NSC147756 | NSC-147756 | (4-carboxybutyl) triphenylphosphonium bromide
Storage
Argon charged,Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
5g
C119829-5g
1
$9.90
10g
C119829-10g
1
$10.90
25g
C119829-25g
3

$18.90

$28.90
Save $10.00 (34.60%)
100g
C119829-100g
3

$74.90

$112.90
Save $38.00 (33.66%)
500g
C119829-500g
3

$246.90

$370.90
Save $124.00 (33.43%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 24 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Used as a platform for delivery of pro-apoptotic peptides into the mitochondria of tumor cells Reactant for preparation of: Ring skeletons via ring closing metathesis and double bond migration ring closing metathesis reactions Methyl alkenyl quinolones as antimycobacterial agents Prostaglandins and their drug analogs via Gold-catalyzed Meyer-Schuster rearrangement Diphenylmethylpiperazines as N-type calcium channel blockers as potential therapeutic agents Folate receptor-specific glycinamide ribonucleotide formyltransferase (GARFTase) inhibitors with antitumor activity Cycloalkylidene alkanols with antileishmanial activity, via Wittig reaction

Specifications

Synonyms
AC-29279 | J-501381 | MLOSJPZSZWUDSK-UHFFFAOYSA-N | SCHEMBL163452 | SY002381 | AMY39331 | triphenyl (4-carboxybutyl)phosphonium bromide | 4-(Carboxybutyl)triphenylphosphonium Bromide | NSC147756 | NSC-147756 | (4-carboxybutyl) triphenylphosphonium bromide
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504757503
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504757503
Canonical SmilesC1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
IUPAC Name4-carboxybutyl(triphenyl)phosphanium;bromide
InChIKeyMLOSJPZSZWUDSK-UHFFFAOYSA-N
INCHI1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
Isomeric SMILES C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
WGK Germany 3
Alternate CAS 41264-12-4
Molecular Weight 443.31
Beilstein 3586477
Reaxy-Rn 3586477
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3586477&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylphosphines and derivatives
Intermediate Tree Nodes Not available
Direct ParentPhenylphosphines and derivatives
Alternative Parents Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organophosphorus compounds  Organic oxides  Organic bromide salts  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Triphenylphosphine - Phenylphosphine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
A-375 (9258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ECa-109 cell line (1254 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1650 (1118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BEAS-2B (690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

17 results found

Lot NumberCertificate TypeDateItem
H2428049Certificate of AnalysisJun 08, 2026 C119829
G2230058Certificate of AnalysisFeb 04, 2026 C119829
G2230062Certificate of AnalysisFeb 04, 2026 C119829
G2230063Certificate of AnalysisFeb 04, 2026 C119829
G2015135Certificate of AnalysisDec 22, 2025 C119829
G2015134Certificate of AnalysisNov 06, 2025 C119829
J2517212Certificate of AnalysisOct 23, 2025 C119829
J2509105Certificate of AnalysisOct 14, 2025 C119829
G2308179Certificate of AnalysisApr 08, 2025 C119829
H2428040Certificate of AnalysisMay 07, 2024 C119829
J2126760Certificate of AnalysisAug 04, 2023 C119829
J2126759Certificate of AnalysisAug 04, 2023 C119829
J2126761Certificate of AnalysisAug 04, 2023 C119829
J2126762Certificate of AnalysisAug 04, 2023 C119829
H2110021Certificate of AnalysisMay 10, 2023 C119829
G2230061Certificate of AnalysisJun 17, 2022 C119829
D2114078Certificate of AnalysisApr 26, 2021 C119829

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Chemical and Physical Properties
SolubilitySoluble in ethanol, methanol and soluble water. Insoluble in toluene and hexane.
SensitivityHygroscopic
Flash Point(°F)195°
Flash Point(°C)195°
Melt Point(°C)204-207°C
Molecular Weight443.300 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass442.07 Da
Monoisotopic Mass442.07 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count27
Formal Charge0
Complexity372.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Citations of This Product
References
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