4-Chlorophenylboronic acid

HCID 74299CAS 1679-18-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
OB(O)c1ccc(Cl)cc1
InChIKey
CAYQIZIAYYNFCS-UHFFFAOYSA-N
분자식
C6H6BClO2
평균 분자량
156.38 g/mol
단동위원소 질량
156.01493751

이름 및 식별자

우선 이름
4-Chlorophenylboronic acid
IUPAC
(4-chlorophenyl)boronic acid
영어명
4-Chlorophenylboronic acid
분자식
C6H6BClO2
분자량
156.37

이름 및 동의어

4-Chlorophenylboronic acid1679-18-1(4-chlorophenyl)boronic acidp-Chlorophenylboronic acidBoronic acid, (4-chlorophenyl)-p-Chlorobenzeneboronic acidBenzeneboronic acid, p-chloro-Boronic acid, p-chlorophenyl(p-Chlorophenyl)metaboric acidNSC 25408EINECS 216-845-5AB2T8N4T4C
이름 더 보기
4-CHLOROBENZENEBORONIC ACIDAC 34441WLN: QBQR DGAKOS BRN-0011RARECHEM AH PB 0178orobenzeneboronic Acid4-Chlorophenylboric acidp-chlorophenylboronic aci
BRN 2936346AI3-32764(P-CHLOROPHENYL)BORONIC ACIDNSC-254084-16-00-01667 (Beilstein Handbook Reference)B-(4-CHLOROPHENYL)BORONIC ACIDDTXSID50168427BORONIC ACID, B-(4-CHLOROPHENYL)-

데이터베이스 식별자

CAS
1679-18-1
PubChem CID
74299
DTXSID
DTXSID50168427
ChEMBL
CHEMBL1209679
UNII
AB2T8N4T4C
EC Number
216-845-5
Nikkaji
J54.863D

물성

구조 계산 물성

극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
284 · 284-289 °C(lit.)
끓는 점
295.4 · 295.4±42.0 °C(Predicted)
밀도
1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
에 용해됨DMSO
산도 계수 (pKa)
8.39 · 8.39±0.10(Predicted)
화학적 성질 · 2건

off-white to beige crystalline powder

4-Chlorophenylboronic acid is white or off-white crystalline powder. It has certain solubility in water and is soluble in strong polar organic solvents such as dimethyl sulfoxide, but insoluble in ether solvents. It has similar chemical properties to phenylboronic acid.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 9.7% (6 of 62) of reports.

Warning

H302 (77.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 62 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24375
Hazard Classes and CategoriesAcute Tox. 4 (77.4%)

안전 데이터

wgk
3
tsca
No
rtecs
CY8950000
HS 번호
29319090
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi

화학 및 산업

응용 분야 · 1건

용도4-Chlorophenylboronic acid can be used as a reactant in:Palladium-catalyzed direct arylation.Cyclopalladation. Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation. Copper-mediated ligandless aerobic fluoroalkylation. Pd-catalyzed arylative cyclization. Ruthenium catalyzed direct arylation. Ligand-free copper-catalyzed coupling reactions. Regioselective arylation and alkynylation by Suzuki-Miyaura and Sonogashira cross-coupling reactions. It can also be used to prepare: Substituted diarylmethylidenefluorenes via Suzuki coupling reaction.Baclofen lactam by Suzuki coupling of a pyrrolinyl tosylate, followed by hydrogenation reaction.Palladium(II) thiocarboxamide complexes as Suzuki coupling catalysts. Biaryls by Suzuki reactions of aryl chlorides, bromides, and iodides with arylboronic acids.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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]
安徽至善新材料有限公司0554-2114112 18118134211 · [email protected]

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