5-클로로-2-메톡시페닐보론산

5-Chloro-2-methoxyphenylboronic acid

HCID 2735751CAS 89694-48-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(Cl)cc1B(O)O
InChIKey: FMBVAOHFMSQDGT-UHFFFAOYSA-N
분자식: C7H8BClO3
평균 분자량: 186.4 g/mol
단동위원소 질량: 186.0255022

이름 및 식별자

우선 이름: 5-Chloro-2-methoxyphenylboronic acid
IUPAC: (5-chloro-2-methoxyphenyl)boronic acid
현지명: 5-클로로-2-메톡시페닐보론산
영어명: 5-Chloro-2-methoxyphenylboronic acid
분자식: C7H8BClO3
분자량: 186.4

이름 및 동의어

5-Chloro-2-methoxyphenylboronic acid89694-48-4(5-chloro-2-methoxyphenyl)boronic acid5-Chloro-2-methoxybenzeneboronic AcidDTXSID90370921RefChem:534586DTXCID10321955618-292-9923-256-3MFCD013189662-METHOXY-5-CHLOROPHENYLBORONIC ACID5-chloro-2-methoxyphenyl boronic acid

이름 더 보기

5-클로로-2-메톡시페닐보론산AKOS BRN-0073CHEMBRDG-BB 3200964RARECHEM AH PB 0263oro-2-methoxyphenyL5-Chloro-2-methoxyph5-Chloro-2-Methoxyphenylboroni5-Chloro-2-methoxyphenylboronic5-chloro-2-methoxyphenylboric acid5-Chloro-2-methoxyphenyboronic acid

Boronic acid, (5-chloro-2-methoxyphenyl)-4-CHLOROANISOLE-2-BORONIC ACIDSCHEMBL322537CS-D1034SBB052529(5-chloro-2-methoxyphenyl)boronicacid2-methoxy-5-chloro-phenylboronic acid5-chloro,2-methoxyphenyl boronic acid

데이터베이스 식별자

CAS: 89694-48-4
PubChem CID: 2735751
DTXSID: DTXSID90370921
EC Number: 618-292-9、923-256-3
Nikkaji: J2.042.081B

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 134 · 134-141 °C(lit.)
끓는 점: 360.2 · 360.2±52.0 °C(Predicted)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 7.58 · 7.58±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChIKey: FMBVAOHFMSQDGT-UHFFFAOYSA-N
SMILES: B(C1=CC(Cl)=CC=C1OC)(O)O

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (90.9%): 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory InformationStatus: Active Update: 27-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24437

Hazard Classes and Categories · 2건

Skin Irrit. 2 (90.9%)

Acute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Reactant for:• ;Boron-Heck arylation1• ;Suzuki-Miyaura reaction2

상·하류 제품 정보

상류 원료

하류 제품

2-Chloroanisole

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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