(3-Chlorophenyl)boronic acid

HCID 2734323

기본 정보

CAS
63503-60-6
표준 SMILES
OB(O)c1cccc(Cl)c1
InChIKey
SDEAGACSNFSZCU-UHFFFAOYSA-N
분자식
C6H6BClO2
평균 분자량
156.38 g/mol
단동위원소 질량
156.0149373

이름 및 식별자

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

이름 및 동의어

(3-chlorophenyl)boronic acidRefChem:400104628-786-63-Chlorophenylboronic acid63503-60-63-chlorobenzeneboronic acid3-chlorophenyl boronic acid3-ChlorophenylboronicacidMFCD00161354m-chlorophenylboronic acid(3-Chlorophenyl)BoranediolB-(3-chlorophenyl)-boronic acid
이름 더 보기
AKOS BRN-0010RARECHEM AH PB 01793-Chlorophenylboroni3-Chlorophenylboronic3-Chlorophenylboric acid3-CHLOROPHENYLBORNIC ACID3-Chlorophenylboroic acid
3-Chlorophenylboronic acid (contains varying amounts of Anhydride)Boronic acid, (3-chlorophenyl)-B-(3-Chlorophenyl)boronic Acid; (3-Chlorophenyl)boronic Acid; (m-Chlorophenyl)boronic Acid; 3-Chlorobenzeneboronic Acid; m-Chlorobenzeneboronic AcidVismodegib Impurity 103-chlorphenylboronic acid3-chiorophenylboronic acidm-chlorophenyl boronic acid3-chloro phenylboronic acid

데이터베이스 식별자

CAS
63503-60-6
PubChem CID
2734323
DTXSID
DTXSID40370214
ChEMBL
CHEMBL164616
EC Number
628-786-6
Nikkaji
J920.027D

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
185 · 185-189 °C(lit.)
끓는 점
311.4 · 311.4±44.0 °C(Predicted)
밀도
1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건
Inert atmosphere,Room Temperature
용해도
메탄올에 용해됨
산도 계수 (pKa)
7.55 · 7.55±0.10(Predicted)

화학적 성질

white to light yellow-green crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (74.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (23.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (23.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (74.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (21.8%): 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, 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 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 55 reports by companies.;There are 12 notifications provided by 54 of 55 reports by companies with hazard statement code(s).;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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (80%);Acute Tox. 4 (74.5%);Skin Irrit. 2 (23.6%);Eye Irrit. 2 (23.6%);Acute Tox. 4 (74.5%);STOT SE 3 (21.8%)

안전 데이터

wgk
3
HS 번호
29163990
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
safety_code
36-37/39-26
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도suzuki reaction

공급사100 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]
天津欣康佑生物科技有限公司19922659386 · [email protected]

관련 반응

575건

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