4-Chloropyridine-3-boronic acid, pinacol ester

HCID 12067064

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 452972-15-5
표준 SMILES: CC1(C)OB(c2cnccc2Cl)OC1(C)C
InChIKey: KTLJNRVZMVZXMR-UHFFFAOYSA-N
분자식: C11H15BClNO2
평균 분자량: 239.51 g/mol
단동위원소 질량: 239.0884368

이름 및 식별자

우선 이름: 4-Chloropyridine-3-boronic acid, pinacol ester
IUPAC: 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
영어명: 4-Chloropyridin-3-ylboronic acid, pinacol ester 98
분자식: C11H15BClNO2
분자량: 239.51

이름 및 동의어

4-Chloropyridine-3-boronic acid, pinacol esterRefChem:522071670-325-6452972-15-54-Chloropyridine-3-boronic acid pinacol ester4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineMFCD06798247DTXSID00476867Pyridine, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SY023186CS-00544054-chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxa borolan-2-yl)-pyridine

이름 더 보기

4-Chloropyridine-3-boronicoropyridine-3-boronic Acid PinacoL4-CHLOROPYRIDIN-3-YLBORONIC ACID, PICOL ESTER 98(4-Chloropyridine-3-yl)boronic acid pinacol ester4-Chloropyridine-3-boronic acid pinacol ester, HCl4-Chloropyridine-3-boronic acid, pinacol ester 98%4-Chloropyridin-3-ylboronic acid, pinacol ester 98REF DUPL: 4-Chloropyridine-3-boronic acid pinacol ester4-Chloropyridine-3-boronic acid, pinacol ester hydrochloride

4-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine4-Chloropyridine-3-boronicAcidPinacolEsterSCHEMBL166233SCHEMBL29631092KTLJNRVZMVZXMR-UHFFFAOYSA-NAKOS015949908AB29854GS-6280

데이터베이스 식별자

CAS: 452972-15-5
PubChem CID: 12067064
DTXSID: DTXSID00476867
EC Number: 670-325-6

물성

구조 계산 물성

극성 표면적: 31.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 257

물리화학적 성질

녹는점: 110 · 110
끓는 점: 326.8 · 326.8±27.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: Keep Cold
산도 계수 (pKa): 3.19 · 3.19±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.