Potassium cyclopropyltrifluoroborate

HCID 23697338CAS 1065010-87-8

기본 정보

표준 SMILES: F[B-](F)(F)C1CC1.[K+]
InChIKey: CFMLURFHOSOXRC-UHFFFAOYSA-N
분자식: C3H5BF3K
평균 분자량: 147.98 g/mol
단동위원소 질량: 148.0073469

이름 및 식별자

우선 이름: Potassium cyclopropyltrifluoroborate
IUPAC: potassium cyclopropyl(trifluoro)boranuide
영어명: Potassium cyclopropyltrifluoroborate
분자식: C3H4BF3K
분자량: 146.97

이름 및 동의어

Potassium cyclopropyltrifluoroborateRefChem:867781678-462-31065010-87-8potassium;cyclopropyl(trifluoro)boranuideMFCD09265031potassium cyclopropyltrifluoroboranuidePotassium cyclopropyl(trifluoro)borate(1-)potassiumcyclopropyltrifluoroboratepotassium cyclopropytrifluoroboratepotassium cyclopropyl-trifluoroborateCS-W004672

이름 더 보기

Borate(1-), cyclopropyltrifluoro-, potassiuMPotassium cycLCHEMMAKER CMBC-00011cyclopropyl(trifluoro)boranuidePotassiumCyclopropyltrifluoroborate>potassium cyclopropyltrifluoroboranuidePotassium cyclopropyl-1-trifluoroboratePotassium cyclopropyltrifluoroborate 96%

Cyclopropyltrifluoroboric acid potassium saltPotassium cyclopropyltrifluororateSCHEMBL163277potassium cycloproyltrifluoroborDTXSID70635702potassium cycloproyltrifluoroborateAKOS005258384GS-3801

데이터베이스 식별자

CAS: 1065010-87-8
PubChem CID: 23697338
DTXSID: DTXSID70635702
EC Number: 678-462-3

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 77.1

물리화학적 성질

녹는점: 348 · 348-350 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C3H4BF3.K/c5-4(6,7)3-1-2-3;/h1-2H2;/q-1;+1
InChIKey: KQWZTWVTUVOWCC-UHFFFAOYSA-N
SMILES: [B+3]([C-]1CC1)([F-])([F-])[F-].[K+]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 2931900090
risk_code: 36/37/38
safety_code: 26-37-60
Hazard Classifications: Repr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling reactions1,2,3,4,5,6Organotrifluoroborates as versatile and stable boronic acid surrogates.

일반 설명May contain 5-10% cyclopropylboronic acid