3-Chloro-4-pyridineboronic acid

HCID 3861877

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 458532-98-4
표준 SMILES: OB(O)c1ccncc1Cl
InChIKey: JLIHQPWLAOYTRH-UHFFFAOYSA-N
분자식: C5H5BClNO2
평균 분자량: 157.36 g/mol
단동위원소 질량: 157.0101863

이름 및 식별자

우선 이름: 3-Chloro-4-pyridineboronic acid
IUPAC: (3-chloro-4-pyridinyl)boronic acid
영어명: 3-Chloro-4-pyridineboronic acid hydrate
분자식: C5H5BClNO2
분자량: 157.36

이름 및 동의어

458532-98-43-Chloro-4-pyridineboronic acid(3-chloropyridin-4-yl)boronic Acid3-Chloropyridine-4-boronic acidBORONIC ACID, (3-CHLORO-4-PYRIDINYL)-MFCD034259423-chloropyridin-4-ylboronic acid(3-chloro-4-pyridyl)boronic acidSCHEMBL1157763-Chloropyridin-4-boronic acidDTXSID10397514JLIHQPWLAOYTRH-UHFFFAOYSA-N

이름 더 보기

3-CHLOROPYRIDINE-4-BORONIC ACID HYDRATE4-Borono-3-chloropyridine3-Chloropyridine-4-boronicaci3-chloro-4-pyridylboronic acid3-Chlorolpyridine-4-boronic acid3-chloro-4-pyridinylboronic acid

(3-chloropyridin-4-yl)boronicAcid3-chloro-pyridine-4-yl boronic acidSBB052573AKOS006220751AB14722CS-W010907GS-6282BP-10401

데이터베이스 식별자

CAS: 458532-98-4
PubChem CID: 3861877
DTXSID: DTXSID10397514
EC Number: 692-590-7
Nikkaji: J1.748.342K

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: 95 · 95-97
끓는 점: 329.6 · 329.6±52.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
산도 계수 (pKa): 7.3 · 7.30±0.58(Predicted)
색상: 베이지색
수용성: 물에 약간 용해됩니다.

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 (100%): 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 4 reports by companies from 1 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.