2-Bromo-1-ethylpyridinium tetrafluoroborate

HCID 2736300

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 878-23-9
표준 SMILES: CC[n+]1ccccc1Br.F[B-](F)(F)F
InChIKey: YJDXVQLBIAJTHP-UHFFFAOYSA-N
분자식: C7H9BBrF4N
평균 분자량: 273.86 g/mol
단동위원소 질량: 272.99475467

이름 및 식별자

우선 이름: 2-Bromo-1-ethylpyridinium tetrafluoroborate
IUPAC: 2-bromo-1-ethylpyridin-1-ium tetrafluoroborate
영어명: 2-Bromo-1-ethylpyridinium tetrafluoroborate
분자식: C7H9BBrF4N
분자량: 273.86

이름 및 동의어

878-23-92-Bromo-1-ethylpyridinium tetrafluoroborateEINECS 212-900-2DTXSID60236646RefChem:85623DTXCID90159137212-900-22-bromo-1-ethylpyridin-1-ium tetrafluoroboratebep tetrafluoroborateMFCD000600462-Bromo-1-ethyl-pyridinium tetrafluoroborate2-bromo-1-ethyl-pyridin-1-ium tetrafluoroborate

이름 더 보기

BEPyBr2-Brom-1-ethylpyridiniumtetrafluoroborat2-BROMO-1-ETHYLPYRIDINIUM TETRAFLUOROBOR2-Bromo-1-ethylpyridinium tetrafluoroborat1-Ethyl-2-bromopyridinium·tetrafluoroborate2-Bromo-1-ethylpyridinium Tetra uoroborate

C7H9BBrF4N2-bromo-1-ethylpyridin-1-ium;tetrafluoroborateSCHEMBL120909AKOS015832928MS-20500bromoethylpyridiniumtetrafluoroborate2-bromo-1-ethyl-pyridin-1-iuSCHEMBL29387158

데이터베이스 식별자

CAS: 878-23-9
PubChem CID: 2736300
DTXSID: DTXSID60236646
EC Number: 212-900-2

물성

구조 계산 물성

극성 표면적: 3.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 104

물리화학적 성질

녹는점: 103 · 103-107 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 물에 거의 녹지 않음
BRN: 4059265 · 4059265
주요 응용: 펩타이드 합성
InChI: InChI=1S/C7H9BrN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1
InChIKey: YJDXVQLBIAJTHP-UHFFFAOYSA-N
SMILES: [N+]1(CC)C=CC=CC=1Br.[B-](F)(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37/39-26
포장분류: III
위험 등급: 8
F 고인화성물질: 9-21
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Bromo-1-ethylpyridinium Tetrafluoroborate is a carboxyl activation and coupling reagent for peptide synthesis.

일반 설명2-Bromo-1-ethyl-pyridinium tetrafluoroborate is a coupling reagent employed in the synthesis of amides and esters through amidation and esterification reactions, respectively. It is generally prepared by the reaction of triethyloxonium tetrafluoroborate with 2bromo pyridine.