9-Benzyl-9-borabicyclo(3.3.1)nonane

HCID 4150924

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Grundinformationen

CAS: 53317-09-2
Standard-SMILES: c1ccc(CB2C3CCCC2CCC3)cc1
InChIKey: IQRBNRFCRAJXJF-UHFFFAOYSA-N
Summenformel: C15H21B
Durchschnittliche Molmasse: 212,14 g/mol
Monoisotopische Masse: 212,17363107

Namen und Bezeichner

Bevorzugter Name: 9-Benzyl-9-borabicyclo(3.3.1)nonane
IUPAC: 9-benzyl-9-borabicyclo[3.3.1]nonane
Englischer Name: BETA-BENZYL-9-BBN
Summenformel: C15H21B
Molmasse: 212.14

Namen und Synonyme

9-benzyl-9-borabicyclo[3.3.1]nonane53317-09-2DTXSID403999609-Benzyl-9-borabicyclo(3.3.1)nonaneRefChem:1074947DTXCID60350816B-Benzyl-9-BBNBETA-BENZYL-9-BBNB-BENZYL-9-BORABICYCLO[3.3.1]NONANEB-Benzyl-9BBN9-Borabicyclo[3.3.1]nonane, 9-(phenylmethyl)-SCHEMBL190624

Weitere Namen anzeigen

9-BenzyL-9-borabicycLb-benzyl-9-bbn solutionB-Benzyl-9-BBN solutionB-Benzyl-9-BBN solution 0.5 M in THFbeta-Benzyl-9-borabicyclo[3.3.1]nonane

IQRBNRFCRAJXJF-UHFFFAOYSA-NAKOS0159164719-Benzyl-9-bora-bicyclo[3.3.1]nonane9-benzyl-9-borabicyclo[3.3.1]-nonane

Datenbank-Bezeichner

CAS: 53317-09-2
PubChem CID: 4150924
DTXSID: DTXSID40399960
EC Number: 803-759-3
Nikkaji: J1.813.027K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 197

Physikochemische Eigenschaften

Siedepunkt: 67 °C · 67 °C
Dichte: 0.906 g/mL · 0.906 g/mL at 25 °C
Flammpunkt: 2 °F · −2 °F
InChI: 1S/C15H21B/c1-2-6-13(7-3-1)12-16-14-8-4-9-15(16)11-5-10-14/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+
InChIKey: IQRBNRFCRAJXJF-GASCZTMLSA-N
SMILES: C1CC2CCCC(C1)B2Cc3ccccc3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]

P231+P232, P280, P370+P378, P402+P404, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesWater-react. 2 (100%)

Sicherheitsdaten

wgk: -
ridadr: UN 1993 3/PG 2
risk_code: 11-19-36/37-40-14
hazard_code: F,Xi,Xn
safety_code: 16-29-33-36/37-26
Speicherklasse: 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: Carc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3Water-react 2