CAS 53317-09-2 9-Benzyl-9-borabicyclo(3.3.1)nonane (HCID 4150924)

基本情報

CAS: 53317-09-2
標準SMILES: c1ccc(CB2C3CCCC2CCC3)cc1
InChIKey: IQRBNRFCRAJXJF-UHFFFAOYSA-N
分子式: C15H21B
平均分子量: 212.14 g/mol
単同位体質量: 212.17363107

名称と識別子

優先名称: 9-Benzyl-9-borabicyclo(3.3.1)nonane
IUPAC: 9-benzyl-9-borabicyclo[3.3.1]nonane
現地名: 9-ベンジル-9-ボラビシクロ[3.3.1]ノナン
英語名: BETA-BENZYL-9-BBN
分子式: C15H21B
分子量: 212.14

名称と別名

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

名称をさらに表示

9-ベンジル-9-ボラビシクロ[3.3.1]ノナン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

データベース識別子

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

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 197

物理化学的性質

沸点: 67 °C · 67 °C
比重(密度): 0.906 g/mL · 0.906 g/mL at 25 °C
闪点: 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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

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
Hazard Classifications: Carc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3Water-react 2
ストレージクラス: 4.3 - Hazardous materials which set free flammable gases upon contact with water