Methyltriphenylphosphoniumbromid

Methyltriphenyliphosphonium bromide

HCID 74505CAS 1779-49-3

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Grundinformationen

Standard-SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: LSEFCHWGJNHZNT-UHFFFAOYSA-M
Summenformel: C19H18P.Br
Durchschnittliche Molmasse: 357,2 g/mol
Monoisotopische Masse: 356,03294931

Namen und Bezeichner

Bevorzugter Name: Methyltriphenyliphosphonium bromide
IUPAC: methyl(triphenyl)phosphanium bromide
Lokaler Name: Methyltriphenylphosphoniumbromid
Englischer Name: Methyltriphenylphosphonium bromide
Summenformel: C19H18P.Br
Molmasse: 357.22

Namen und Synonyme

Methyltriphenylphosphonium bromide1779-49-3Phosphonium, methyltriphenyl-, bromide (1:1)Phosphonium, methyltriphenyl-, bromideMethyl triphenylphosphonium bromideLW2UZ3E9EGMTPPBMethyltriphenyliphosphonium bromideEINECS 217-218-9NSC 20740NSC-20740NSC 102058

Weitere Namen anzeigen

MePPh3BrTRIPHENYLMETHYLPHOSPHONIUM BROMIDEMethyltriphenylphosphanium bromideMethyltriphenylphosphine bromideBromo(methyl)triphenylphosphoraneMTPBrMethyl Triphenyl Phosphonium Bromide (MTPBB)Methyl triphenyl phoMethy triphenylphosphonium

NSC-102058DTXSID30883580EC 217-218-9Methyl-Triphenyl-Phosphonium BromideTRIPHENYLPHOSPHONIUM METHOBROMIDETRIPHENYLPHOSPHONIUM METHYLBROMIDEM-0779RefChem:818743

Datenbank-Bezeichner

CAS: 1779-49-3
PubChem CID: 74505
DTXSID: DTXSID30883580
ChEMBL: CHEMBL54469
UNII: LW2UZ3E9EG
EC Number: 217-218-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 21
Formalladung: 0
Komplexität: 235

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phosphorus Compounds

Physical DescriptionWhite hygroscopic powder; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 230 · 230-234 °C (lit.)
Dampfdruck: 2e-7 hPa · 0.0000002 hPa
Flammpunkt: 240 °C · >240°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 2 O: · H2O: 0.1 g/mL, clear
Aggregatzustand: Powder
Farbe: White
PH: 6 · 6.0-6.5 (400g/l, H2O, 20℃)
Wasserlöslichkeit: 400 g/L · 400 g/L (25 ºC)
BRN: 3599467 · 3599467
InChI: 1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKey: LSEFCHWGJNHZNT-UHFFFAOYSA-M
SMILES: [Br-].C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
LogP: -1.18 · -1.18
CAS Datenbank: 1779 · 1779-49-3(CAS DataBase Reference)
NIST chemische Informationen: Methyltriphenylphosphonium bromide(1779-49-3)
EPA chemische Informationen: Phosphonium, methyltriphenyl-, bromide (1779-49-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 7.7% (6 of 78) of reports.

Danger

H300 (21.8%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Phosphonium, methyltriphenyl-, bromide

Status: Active Update: 16-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6999

Phosphonium, methyltriphenyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful by ingestion and skin absorption; [Acros Organics MSDS] See Triphenylphosphine oxide and Triphenylphosphine.

Hazard Classes and CategoriesAcute Tox. 2 (21.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1390 4.3/PG 2
hs_code: 29310095
risk_code: 20/21/22-36/37/38
Toxizität: LD50 orally in Rabbit: 118 mg/kg
hazard_code: Xn,Xi
safety_code: 36/37-36-26
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2
Selbstentzündungstemperatur: 410 °C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhosphonium, methyltriphenyl-, bromide (1:1): ACTIVE

Anwendungen

VerwendenMethyltriphenylphosphonium Bromide is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.