CAS 174669-73-9 2-Fluoropyridine-3-boronic acid (HCID 2783270)

이름 및 식별자

우선 이름: 2-Fluoropyridine-3-boronic acid
IUPAC: (2-fluoro-3-pyridinyl)boronic acid
영어명: 2-Fluoro-3-pyridylboronic acid
분자식: C5H5BFNO2
분자량: 140.91

이름 및 동의어

2-Fluoropyridine-3-boronic acidRefChem:472663626-841-9174669-73-9(2-fluoropyridin-3-yl)boronic Acid2-Fluoro-3-pyridylboronic acid2-fluoro-3-pyridineboronic acid2-fluoropyridin-3-ylboronic acid(2-fluoro-3-pyridyl)boronic acidMFCD03411557BORONIC ACID, B-(2-FLUORO-3-PYRIDINYL)-2-fluoropyridin-3-yl-3-boronic acid

이름 더 보기

AKOS BRN-0506JACS-174669-73-92-Fluoro-3-pyridylboronic3-Borono-2-fluoropyridine2-Fluoropyridine-3-boronicuoro-3-pyridineboronic acid

2-fluoropryridine-3-boronic acid(2-fluoro-3-pyridinyl)boronic acidBORONIC ACID, (2-FLUORO-3-PYRIDINYL)-2-fluoro-3-pyridinylboronic acidSCHEMBL281652-fluoro-pyridyl boronic acidorb29401182-fluoropyridine 3-boronic acid

데이터베이스 식별자

CAS: 174669-73-9
PubChem CID: 2783270
DTXSID: DTXSID30382548
ChEMBL: CHEMBL3236608
EC Number: 626-841-9
Nikkaji: J1.702.371C

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: 274 · 274-283 °C
끓는 점: 322.6 · 322.6±52.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 6.68 · 6.68±0.58(Predicted)
색상: 하얀색
BRN: 9119935 · 9119935
InChI: 1S/C5H5BFNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
InChIKey: YUHZIUAREWNXJT-UHFFFAOYSA-N
SMILES: OB(O)c1cccnc1F

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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 48 reports by companies from 8 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in:Heterocyclization eith α-oxocarboxylic acidsSuzuki-Miyaura coupling reactionsAdditionally used as a precursor to biologically active molecules including:Heteroaryl benzylureas with glycogen synthase kinase 3 inhibitory activityCarboxyindoles with HCV NS5B polymerase inhibitory activityPyrazolyl- and thienyl-aminohydantoins with BACE1 inhibitory activity