CAS 136466-94-9 (2,6-Difluoropyridin-3-yl)boronic acid (HCID 2762713)

이름 및 식별자

우선 이름: (2,6-Difluoropyridin-3-yl)boronic acid
IUPAC: (2,6-difluoro-3-pyridinyl)boronic acid
영어명: 2,6-Difluoropyridine-3-boronic acid
분자식: C5H4BF2NO2
분자량: 158.9

이름 및 동의어

(2,6-difluoropyridin-3-yl)boronic AcidRefChem:394696681-155-72,6-Difluoropyridine-3-boronic acid136466-94-92,6-Difluoro-3-pyridylboronic acid2,6-Difluoro-3-pyridineboronic AcidMFCD03788245(2,6-difluoro-3-pyridyl)boronic acid(2,6-difluoro-3-pyridinyl)boronic acid2,6-difluoropyridin-3-yl-3-boronic acidBORONIC ACID, B-(2,6-DIFLUORO-3-PYRIDINYL)-

이름 더 보기

uoropyridine-3-boronic acid3-Borono-2,6-difluoropyridine2,6-DIFLUOROPYRIDINE-3-BORONIC2,6-Difluoropyridine-3-boronicaci2,6-DIFLUORO-3-PYRIDYL BORONIC ACID(2,6-DIFLUORO-3-PYRIDINYL)-BORONIC ACID6-Chloro-2-fluoropyridine-3-boronic acid

2,6-difluoropyridin-3-ylboronic acid2,6-Difluoro-3-pyridineboronicAcidBORONIC ACID, (2,6-DIFLUORO-3-PYRIDINYL)-SCHEMBL426850DTXSID90376387LCCZTROJRJFXNV-UHFFFAOYSA-N2,6-difluoro-3 pyridylboronic acidSBB052571

데이터베이스 식별자

CAS: 136466-94-9
PubChem CID: 2762713
DTXSID: DTXSID90376387
EC Number: 681-155-7
Nikkaji: J2.540.094A

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 168 °C · 168 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))
끓는 점: 314.8 · 314.8±52.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
수용성: 물에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 6.77 · 6.77±0.58(Predicted)
색상: 흰색에서 밝은 노란색
InChIKey: LCCZTROJRJFXNV-UHFFFAOYSA-N

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 (85.7%): 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 7 reports by companies from 4 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. 2A (100%)；STOT SE 3 (85.7%)

안전 데이터

HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37

화학 및 산업

응용 분야 · 1건

용도2,6-Difluoropyridine-3-boronic acid is a pyridine analogue containing a fluorine atom reactive group and boronic acid in its structure. It can be used as a reagent for fluorination or substitution reactions and as a synthetic intermediate for the preparation of other organic compounds.