9-Borabicyclo[3.3.1]nonane dimer

HCID 11322441

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Grundinformationen

CAS: 146681-70-1
Standard-SMILES: C1CC2CCCC(C1)B2B1C2CCCC1CCC2
InChIKey: IYDIZBOKVLHCQZ-UHFFFAOYSA-N
Summenformel: C16H28B2
Durchschnittliche Molmasse: 242 g/mol
Monoisotopische Masse: 242,2377117

Namen und Bezeichner

Bevorzugter Name: 9-Borabicyclo[3.3.1]nonane dimer
IUPAC: 9-(9-borabicyclo[3.3.1]nonan-9-yl)-9-borabicyclo[3.3.1]nonane
Englischer Name: 9-BBN dimer
Summenformel: C16H30B2
Molmasse: 244.03

Namen und Synonyme

21205-91-49-Borabicyclo[3.3.1]nonane dimer9-Borabicyclo(3.3.1)nonane dimerRefChem:549221629-228-49-Bbn dimerBis-9-borabicyclo[3.3.1]nonane146681-70-19,9'-Bi-9-borabicyclo[3.3.1]nonane9-BBN Dimer (Technical Grade)MFCD001680699-(9-borabicyclo[3.3.1]nonan-9-yl)-9-borabicyclo[3.3.1]nonane

Weitere Namen anzeigen

9-BBN,Dimmer9BBN0.5MinTHF9-BBN dimer, 97%9-BBN dimer, 97% (Gms)9-BBN CRYSTALLINE DIMER9-BBN,0.5MsolutioninTHF9-BBN dimer,98%,crystalline

9,9'-Dibora-9,9'-bi(bicyclo[3.3.1]nonane)9-{9-BORABICYCLO[3.3.1]NONAN-9-YL}-9-BORABICYCLO[3.3.1]NONANE9-BBN dimer; 9-Borabicyclo[3.3.1]nonane dimer; 9-Borabicyclononane dimer; Bis- 9-borabicyclo[3.3.1]nonane; 1,1:2,2-bis(1,5-Cyclooctanediyl)-diboraneSCHEMBL16360077SCHEMBL25221741DTXSID60462342C16H28B2WAA20591

Datenbank-Bezeichner

CAS: 146681-70-1、21205-91-4
PubChem CID: 11322441
DTXSID: DTXSID60462342
EC Number: 629-228-4
Nikkaji: J3.429.150K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Schmelzpunkt: 150 · 150-152 °C(lit.)
Siedepunkt: 365.8 · 365.8±48.0 °C(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in tetrahydrofuran, ether, hexane, benzene, toluene, carbon tetrachloride, chloroform, dichloromethane and dimethylsulfide. Slightly soluble in cyclohexane, dimethoxyethane, diglyme and dioxane.
Aggregatzustand: crystalline
BRN: 605509 · 605509
Stabilität: Hygroscopic, Moisture Sensitive
InChI: InChI=1S/C16H30B2/c1-5-13-7-2-8-14(6-1)17(13)19-18(20-17)15-9-3-10-16(18)12-4-11-15/h13-16H,1-12H2
InChIKey: IYDIZBOKVLHCQZ-GEEKYZPCSA-N
SMILES: B12([H]B3(C4CCCC3CCC4)[H]1)C1CCCC2CCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P231+P232, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P402+P404, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Sol. 1 (100%)

Sicherheitsdaten

F: 10-16
wgk: 3
ridadr: UN 3396 4.3/PG 2
hs_code: 29349990
risk_code: 11-14/15-36/37/38
hazard_code: F,Xi
safety_code: 26-43
hazard_class: 4.2
packing_group: I
Speicherklasse: 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3Water-react 2