(2,4-Dimethylphenyl)boronic acid

HCID 4198739

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55499-44-0
표준 SMILES: Cc1ccc(B(O)O)c(C)c1
InChIKey: TYONHSPZXLFWKI-UHFFFAOYSA-N
분자식: C8H11BO2
평균 분자량: 149.98 g/mol
단동위원소 질량: 150.0852098

이름 및 식별자

우선 이름: (2,4-Dimethylphenyl)boronic acid
IUPAC: (2,4-dimethylphenyl)boronic acid
영어명: 2,4-Dimethylphenylboronic acid
분자식: C8H11BO2
분자량: 149.98

이름 및 동의어

(2,4-dimethylphenyl)boronic AcidRefChem:394608640-293-82,4-Dimethylphenylboronic acid55499-44-02,4-Dimethylbenzeneboronic AcidMFCD026831012,4-Dimethyl phenyl boronic acid2,4-DimethylphenylboronicacidBoronic acid, (2,4-dimethylphenyl)-2,4-DIMETHYLBENZENEBORONICACIDm-Xylene-4-boronic Acid

이름 더 보기

AKOS BRN-02254-Borono-m-xylene2,4-Dimethylphenylboronic2,4-Dimethylphenbornic acidB-(2,4-Dimethylphenyl)boronic acid2,4-Dimethylphenylboronic acid ,98%Boronic acid, B-(2,4-dimethylphenyl)-

SCHEMBL424142,4-dimethylphenyl boronic acidSCHEMBL295910862,4-dimethylbenzene boronic acidDTXSID50400738(2,4-dimethyl-phenyl)boronic acid2,4-Dimethylphenylboronic acid, 95%AKOS000285074

데이터베이스 식별자

CAS: 55499-44-0
PubChem CID: 4198739
DTXSID: DTXSID50400738
EC Number: 640-293-8
Nikkaji: J2.837.403H

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 204 · 204-208°C
끓는 점: 292.4 · 292.4±50.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 약간 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 8.92 · 8.92±0.58(Predicted)
색상: 흰색에서 밝은 노란색
InChI: 1S/C8H11BO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5,10-11H,1-2H3
InChIKey: TYONHSPZXLFWKI-UHFFFAOYSA-N
SMILES: Cc1ccc(B(O)O)c(C)c1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13.3%): 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, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (86.7%)；Skin Irrit. 2 (15.6%)；Eye Irrit. 2A (15.6%)；STOT SE 3 (13.3%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/37-37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

상류 원료

공급사100 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]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

화합물 노트

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