CAS 444120-91-6 2-Chloropyridine-5-boronic acid (HCID 3845034)

이름 및 식별자

우선 이름: 2-Chloropyridine-5-boronic acid
IUPAC: (6-chloro-3-pyridinyl)boronic acid
영어명: 2-Chloropyridine-5-boronic acid
분자식: C5H5BClNO2
분자량: 157.36

이름 및 동의어

2-Chloropyridine-5-boronic acid444120-91-6DTXSID90397214RefChem:470515DTXCID80348073628-524-0(6-chloropyridin-3-yl)boronic Acid2-Chloro-5-pyridineboronic acid6-chloropyridin-3-ylboronic acidMFCD030949986-Chloro-3-pyridylboronic Acid2-chloro-5-pyridine boronic acid

이름 더 보기

2-Chloropyridine-5-BoronicAKOS BRN-0199CAS:444120-91-6RARECHEM AK ML 04422-Chloropyridine-5-b2-chloro-5-pyridine acid6-Chloro-3-pyridylboronic2-choropyridine-5-boronic acid

2-chloro-5-pyridylboronic acid2-chloro-pyridine-5-boronic acid(6-chloro-3-pyridyl)boronic acid2-chloropyridin-5-ylboronic acidBORONIC ACID, (6-CHLORO-3-PYRIDINYL)-6-chloropyridin-3-yl-3-boronic acid6-CHLORO-3-PYRIDINEBORONIC ACID6-CHLOROPYRIDINE-3-BORONIC ACID

데이터베이스 식별자

CAS: 444120-91-6
PubChem CID: 3845034
DTXSID: DTXSID90397214
ChEMBL: CHEMBL3236617
EC Number: 628-524-0
Nikkaji: J1.720.050J

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: 165 °C · 165 °C(lit.)
끓는 점: 336.9 · 336.9±52.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 6.7 · 6.70±0.10(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 9119810 · 9119810
InChI: 1S/C5H5BClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKey: WPAPNCXMYWRTTL-UHFFFAOYSA-N
SMILES: OB(O)c1ccc(Cl)nc1

화학적 성질

White to off-white solid

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 (98%): 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 49 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 (98%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 26-36/37-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도6-Chloro-3-pyridinylboronic acid can be used:To prepare biologically significant 3-arylcoumarins by reacting with 3-chlorocoumarin through Suzuki reaction.As a substrate in the synthesis of 11-(pyridinylphenyl)steroid with progesterone agonist/antagonist profile.As a substrate in the preparation of α- secondary and tertiary pyridines by the reaction of pyridotriazoles with boronic acids.As a substrate in the palladium-catalyzed α-arylation of saturated cyclic amines and N-methyl amines.