(1,4-Phenylenebis(methylene))bis(triphenylphosphonium) dibromide

HCID 2723797

Notes Reactions

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Basic information

CAS: 40817-03-6
Standard SMILES: [Br-].[Br-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: ZZQVVCXWFPGKJD-UHFFFAOYSA-L
Molecular formula: C44H38Br2P2
Average molar mass: 788.5 g/mol
Monoisotopic mass: 786.08154868

Names & identifiers

Preferred name: (1,4-Phenylenebis(methylene))bis(triphenylphosphonium) dibromide
IUPAC: triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide
English name: para-Xylylenebis-(triphenylphosphonium
Molecular formula: C44H38Br2P2
Molecular weight: 788.528042

Names & synonyms

40817-03-6EINECS 255-092-7(1,4-Phenylenebis(methylene))bis(triphenylphosphonium) dibromide[1,4-Phenylenebis(methylene)]bis[triphenylphosphonium] dibromideRefChem:204376255-092-7(1,4-Phenylenebis(methylene))bis(triphenylphosphonium) bromidep-Xylylenebis(triphenylphosphonium bromide)PARA-XYLYLENEBIS-(TRIPHENYLPHOSPHONIUMDTXSID70961230triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;dibromideAKOS001032233

Show more names

enebis(triphenyLp-xylenebis(triphenylphosphonium) dibromide1,4-Xylylenebis(triphenylphosphonium)·2bromide1,4-Xylylenebis(triphenylphosphonium)·dibromide(p-Xylylene)bis(triphenylphosphonium)·dibromidepara-xylylenebis-(triphenylphosphonium bromide),1,4-Bis[(triphenylphosphonio)methyl]benzene dibromidep-Phenylenebis(methylene)bis(triphenylphosphonium)·dibromide

F10041doi:10.14272/ZZQVVCXWFPGKJD-UHFFFAOYSA-L.1[1,4-Phenylenebis(methylene)]bis(triphenylphosphanium) dibromideAMY39385MFCD00011914FT-0688106SCHEMBL39844(1,4-Phenylenebis(methylene))bis-(triphenylphosphonium) bromide

Database identifiers

CAS: 40817-03-6
PubChem CID: 2723797
DTXSID: DTXSID70961230
EC Number: 255-092-7

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 48
Formal charge: 0
Complexity: 689

Physicochemical properties

Melting point: 300 °C · >300 °C(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Powder
color: White
Water Solubility: Slightly soluble in water.
Sensitive: Hygroscopic
BRN: 3584592 · 3584592
InChIKey: ZZQVVCXWFPGKJD-UHFFFAOYSA-L
SMILES: C1(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.[Br-].[Br-]
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 3278 · 3278
WGK Germany: 3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
ridadr: 3278
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P280g-P305+P351+P338

Chemistry & industry

Applications

Usessuzuki reaction

Usesp-Xylylenebis(triphenylphosphonium bromide) is used as pharmaceutical intermediate.

Suppliers75 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

3 records

New reaction record

HRID 18945As reactantuspto-grants-2010_06

HRID 1863831As reactantuspto-grants-2009_12

HRID 2425808As reactantuspto-grants-2011_06

Compound notes

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