9-Borabicyclo(3.3.1)nonane (HCID 78966)

개요

an amino acid protecting group

이름 및 식별자

우선 이름: 9-Borabicyclo(3.3.1)nonane
IUPAC: 9-borabicyclo[3.3.1]nonane
영어명: 9-Borabicyclo[3.3.1]nonane
분자식: C8H15B
분자량: 122.02

이름 및 동의어

9-BBN compound9-BBN cpdRefChem:5492209-Borabicyclo3.3.1nonaneDTXCID2037760206-000-9280-64-84K4J8L1OG99-Borabicyclo(3,3,1)nonane9-Borabicyclo(3.3.1)nonane9-borabicyclononaneDTXSID3074781

이름 더 보기

9-BBN9-BBN, 0.4M SOLUTION IN HEXANESKseal9-BorabicycL9-BBN monomero[3.3.1]nonane9-BBN(0.5M in toluene)9-Borabicyclo[3.3.1]nona9-Borabicyclo[3.3.1]none9-BBN MonoMer, 0.5M in THF

(1beta,5beta)-9-Borabicyclo[3.3.1]nonane

데이터베이스 식별자

CAS: 280-64-8
PubChem CID: 78966
DTXSID: DTXSID3074781
EC Number: 206-000-9

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 80.7

실험 및 물리화학적 성질

Chemical ClassesMetals -> Metalloid Compounds (Boron)

Physical DescriptionWhite solid; [Acros Organics MSDS]

물리화학적 성질

녹는점: 140 · 140-142 °C
끓는 점: 68 · 68-70 °C
밀도: 0.894 g/mL · 0.894 g/mL at 25 °C
인화점: 1 °F · 1 °F
저장 조건: Flammables area
용해도: 에테르, 헥산, 벤젠, 톨루엔, 사염화탄소, 클로로포름, 디메틸황화물 및 디클로로메탄과 혼합 가능. 시클로헥산, 디메톡시에탄, 디글라임 및 디옥산과 약간 섞임.
물리적 상태: liquid
수용성: 물과 반응
BRN: 605509 · 605509
InChI: InChI=1S/C8H15B/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2
InChIKey: FEJUGLKDZJDVFY-OCAPTIKFSA-N
SMILES: C12BC(CCC1)CCC2
EPA: 9 · 9-Borabicyclo[3.3.1]nonane (280-64-8)

화학적 성질

WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H250 (72.6%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]

P210, P222, P223, P231, P231+P232, P233, P260, P264, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 15-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24223

9-Borabicyclo3.3.1nonane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts with water; May cause irritation; [Acros Organics MSDS]

Hazard Classes and CategoriesPyr. Sol. 1 (72.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3399 4.3/PG 1
HS 번호: 29319090
risk_code: 14-20/21/22-36/37/38-36/37-19-14/15-11-67-65-62-51/53-48/20-38-40
hazard_code: F,Xn,Xi,N
safety_code: 16-26-36/37/39-45-43-33-62-61-36/37-29-7/8-37/39
포장분류: III
위험 등급: 4.1
F 고인화성물질: 1-10-34
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3Water-react 1
스토리지 클래스: 4.3 - Hazardous materials which set free flammable gases upon contact with water

화학 및 산업

용도 및 제조

General Manufacturing Information9-Borabicyclo[3.3.1]nonane: ACTIVE

응용 분야 · 2건

용도9-BBN monomer acts as a selective hydroboration reagent in synthetic organic chemistry. It is employed in Suzuki reactions as well as in the preparation of terminal alcohols by the region selective addition of alkenes followed by oxidative cleavage using hydrogen peroxide. It is also used in copper-catalyzed cross-coupling reactions of organoboron compounds with primary alkyl halides and pseudohalides. It acts as a protecting group for alkenes. Further, it is used as a reactant for Hetero-Diels-Alder reaction for the synthesis of spirocyclic alkaloids. In addition to this, it is used in intramolecular insertion of alkenes into palladium-nitrogen bonds.

일반 설명9-Borabicyclo[3.3.1]nonane is an organic compound, which is generally used as a hydroborating agent. It is thermally stable, less sensitive to oxygen and water when compared to other dialkyl boranes. It is commonly used to prepare aldehydes from alkynes.