비스(피리딘)요오도늄테트라플루오로보레이트

Bis(pyridine)iodonium tetrafluoroborate

HCID 10883201CAS 15656-28-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: F[B-](F)(F)F.[IH2+].c1ccncc1.c1ccncc1
InChIKey: WVXJCTSZJWIBQT-UHFFFAOYSA-N
분자식: C10H12BF4IN2
평균 분자량: 373.93 g/mol
단동위원소 질량: 374.00744

이름 및 식별자

우선 이름: Bis(pyridine)iodonium tetrafluoroborate
IUPAC: iodanium;bis(pyridine);tetrafluoroborate
현지명: 비스(피리딘)요오도늄테트라플루오로보레이트
영어명: Bis(pyridine)iodonium tetrafluoroborate
분자식: C10H10BF4IN2
분자량: 371.91

이름 및 동의어

Bis(pyridine)iodonium tetrafluoroborate15656-28-7DTXSID50447027Barluenga reagentBis(pyridine)iodinium tetrafluoroborateBis(pyridine)iodine(I) tetrafluoroborateRefChem:569268Bis(pyridine)iodonium tetrafluoroborate [MI]DTXCID2039784896046808SX628-405-3Iodine(1+), bis(pyridine)-, tetrafluoroborate(1-) (1:1)

이름 더 보기

비스(피리딘)요오도늄테트라플루오로보레이트BarluengasBARLUENGA'S REAGENTSKL215iodaniumBarluengaReagentIpy2Bf4Barluenga’S Reagent Ipy2Bf4iodonium pyridine tetrafluoroborateIodanium pyridine tetrafluoroborate

MFCD03703393iodanium;pyridine;tetrafluoroborateBis(pyridine)iodonium tetrafluoroborate [Barluenga's Reagent]IPy2BF4SCHEMBL756401C10H10BF4IN2C10H12BF4IN2SCHEMBL4590747

데이터베이스 식별자

CAS: 15656-28-7
PubChem CID: 10883201
DTXSID: DTXSID50447027
EC Number: 628-405-3

물성

구조 계산 물성

극성 표면적: 25.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 50

물리화학적 성질

녹는점: 137 · 137-141 °C (lit.)
저장 조건: 2 · 2-8°C
용해도: 2 Cl2, · sol CH2Cl2, DMSO, MeCN, pyridine, DMF; modestly sol CHCl3; insol ether, THF, hexane
물리적 상태: 가루
색상: 노란색
수용성: 물에서 가수분해됩니다.
Merck: 14 · 14,1302
BRN: 4284739 · 4284739
InChI: 1S/2C5H5N.BF4.I/c2*1-2-4-6-5-3-1;2-1(3,4)5;/h2*1-5H;;/q;;-1;+1
InChIKey: JBVUIHBKNVHCKK-UHFFFAOYSA-N
SMILES: [I+].F[B-](F)(F)F.c1ccncc1.c2ccncc2

화학적 성질

Yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi,T
safety_code: 26-36-37/39
포장분류: II
위험 등급: MOISTURE SENSITIVE, KEEP COLD, LIGHT SENSITIVE
위험 참고 사항: Toxic/Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

개요Bis(pyridine)iodonium tetrafluoroborate is iodinating agent for the selective functionalization of unsaturated compounds; can also mediate C-C bond formation.

용도Bis(pyridine)iodonium tetrafluoroborate is used as mild iodinating and oxidizing reagent. It is also useful for selective iodination of free phenolic groups in tyrosine residues during solid-phase synthesis.