3-Cyanophenylboronic acid (HCID 2734325)

이름 및 식별자

우선 이름: 3-Cyanophenylboronic acid
IUPAC: (3-cyanophenyl)boronic acid
영어명: 3-Cyanophenylboronic acid
분자식: C7H6BNO2
분자량: 146.94

이름 및 동의어

3-Cyanophenylboronic acid150255-96-2(3-cyanophenyl)boronic AcidDTXSID60370216RefChem:500649DTXCID50321252604-729-03-Cyanobenzeneboronic AcidMFCD01318967Boronic acid, B-(3-cyanophenyl)-3-cyano phenylboronic acid3-Boronobenzonitrile

이름 더 보기

1-p-Tolylpyrazole-4-boronic acid2-Methyl-3-nitrophenylboronic acid, pinacol ester4,4,5,5-Tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane2-(3-Chloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneAKOS BRN-0075CAS:150255-96-2RARECHEM AH PB 02073-CyanophenylboronicHydroxydip-tolylborane

3-Cyanophenylboronicacid3-cyanophenyl boronic acidBORONIC ACID, (3-CYANOPHENYL)-3-(dihydroxyboranyl)benzonitrilePhenylboronic Acid, 4m-cyanophenyl boronic acid3-cyano-phenylboronic acid3-cyanophenyl-boronic acid

데이터베이스 식별자

CAS: 150255-96-2
PubChem CID: 2734325
DTXSID: DTXSID60370216
ChEMBL: CHEMBL485740
EC Number: 604-729-0
Nikkaji: J1.183.918E

물성

구조 계산 물성

극성 표면적: 64.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 298 °C · 298 °C (dec.) (lit.)
끓는 점: 347.4 · 347.4±44.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 7.17 · 7.17±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 밝은 노란색
BRN: 6136720 · 6136720
InChI: InChI=1S/C7H6BNO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H
InChIKey: XDBHWPLGGBLUHH-UHFFFAOYSA-N
SMILES: B(C1=CC=CC(C#N)=C1)(O)O

화학적 성질

light orange powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.4% (4 of 54) of reports.

Warning

H302 (20.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 27-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33068

Hazard Classes and CategoriesAcute Tox. 4 (20.4%)

안전 데이터

wgk: 3
ridadr: UN3439
HS 번호: 29163990
risk_code: 36/37/38-34-36-41-37/38-22
hazard_code: Xi,C,Xn
safety_code: 26-37/39-45-36/37/39-22-39-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3-Cyanophenylboronic acid can be used:As an intermediate in the synthesis of piperidine-based MCH R1 antagonists.As a substrate in the Suzuki coupling reactions to prepare 4-aryl-1,8-naphthyridin-2(1H)-ones.As an intermediate in the synthesis of biaryl-basedphenylalanineamino acid analogs, which are used as kainate receptors ligands.To prepare phenylimidazole-basedIr(III) complexes for phosphorescent blue OLED applications.

상·하류 제품 정보

상류 원료

하류 제품

3-Cyanophenol 3-플루오르벤조니트릴 3-(2H-테트라졸-5-YL)-페닐-보론산 3-Cyanobenzyl alcohol PF-06447475 3'-(벤질록시)[1,1'-비페닐]-3-탄소니트릴 5-Methyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,2,4-oxadiazole 3-[4-(트리플루오로메톡시)페닐]벤조니트릴 벤조니트릴,3-(2-피리디닐)-Methyl 3'-cyano[1,1'-biphenyl]-4-carboxylate

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]

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

연결된 노트

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3-Cyanophenylboronic acid

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