(5-클로로-2-METHOXYPYRIDIN-3-YL)붕산

(5-Chloro-2-methoxypyridin-3-yl)boronic acid

HCID 44754881

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 943153-22-8
표준 SMILES: COc1ncc(Cl)cc1B(O)O
InChIKey: BZJQXIUWWLFBJS-UHFFFAOYSA-N
분자식: C6H7BClNO3
평균 분자량: 187.39 g/mol
단동위원소 질량: 187.0207509

이름 및 식별자

우선 이름: (5-Chloro-2-methoxypyridin-3-yl)boronic acid
IUPAC: (5-chloro-2-methoxy-3-pyridinyl)boronic acid
현지명: (5-클로로-2-METHOXYPYRIDIN-3-YL)붕산
영어명: 5-Chloro-2-methoxypyridine-3-boronic acid
분자식: C6H7BClNO3
분자량: 187.39

이름 및 동의어

943153-22-8(5-Chloro-2-methoxypyridin-3-yl)boronic acidDTXSID20660569RefChem:209418DTXCID60611318825-252-65-CHLORO-2-METHOXYPYRIDINE-3-BORONIC ACIDMFCD041145795-chloro-2-methoxypyridin-3-yl-3-boronic acid5-chloro-2-methoxy-pyridine-3-boronic acid5-chloro-2-methoxypyridin-3-ylboronic acidSCHEMBL321726

이름 더 보기

(5-클로로-2-METHOXYPYRIDIN-3-YL)붕산(5-Chloro-2-methoxypyridin-3-yl)boronicaciBoronic acid, B-(5-chloro-2-methoxy-3-pyridinyl)-5-Chloro-2-methoxypyridine-3-boronic acid（contains varying amounts of Anhydride）

AB18596AC-33496AS-55769SY066583CS-0042538EN300-212558Z1198164292(5-Chloro-2-Methoxypyridin-3-Yl)BoronicAcid

데이터베이스 식별자

CAS: 943153-22-8
PubChem CID: 44754881
DTXSID: DTXSID20660569
EC Number: 825-252-6

물성

구조 계산 물성

극성 표면적: 62.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 148 · 148-152°C
끓는 점: 353.1 · 353.1±52.0 °C(Predicted)
밀도: 1.4 · 1.40±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 5.93 · 5.93±0.58(Predicted)
InChI: InChI=1S/C6H7BClNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3,10-11H,1H3
InChIKey: BZJQXIUWWLFBJS-UHFFFAOYSA-N
SMILES: B(C1=CC(Cl)=CN=C1OC)(O)O

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야

용도5-Chloro-2-methoxypyridine-3-boronic Acid is a useful research chemical compound used in the preparation of triazine derivatives as inhibitors of phosphodiesterases for treating CNS disorders, metabolic disorders, and other diseases.