1-메틸-1H-피라졸-5-보론산피나콜에스테르

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 4912908CAS 847818-74-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1nccc1B1OC(C)(C)C(C)(C)O1
InChIKey: HLXOVAMYQUFLPE-UHFFFAOYSA-N
분자식: C10H17BN2O2
평균 분자량: 208.07 g/mol
단동위원소 질량: 208.13830818

이름 및 식별자

우선 이름: 1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
현지명: 1-메틸-1H-피라졸-5-보론산피나콜에스테르
영어명: 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester
분자식: C10H17BN2O2
분자량: 208.07

이름 및 동의어

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleRefChem:434442628-091-8847818-74-01-Methyl-1H-pyrazole-5-boronic acid pinacol ester1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD058613801H-PYRAZOLE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-METHYLPYRAZOLE-5-BORONIC ACID PINACOL ESTERSCHEMBL332693

이름 더 보기

1-메틸-1H-피라졸-5-보론산피나콜에스테르1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleCBI-BB ZERO/005567e-5-boronic Acid PinacoL1-Methyl-1H-pyrazole-5-bo...Pinacol 1-methyl-1h-pyrazole-5-boratePinacol 1-methyl-pyrazol-5-yl-boronate1-Methyl-1H-pyrazole-5-boronic acid pinacol

1H-PYRAZOLE,1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4,4,5,5-tetramethyl-2-(1-methylpyrazol-5-yl)-1,3,2-dioxaborolane1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL1-methyl-5-(4,AM201102161-methyl-pyrazole-5-boronic acid pinacol esterCHEMBL32369001-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

데이터베이스 식별자

CAS: 847818-74-0
PubChem CID: 4912908
DTXSID: DTXSID80406728
ChEMBL: CHEMBL3236900
EC Number: 628-091-8
Nikkaji: J2.139.005D

물성

구조 계산 물성

극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 67 · 67-71 °C
끓는 점: 308.3 · 308.3±15.0 °C(Predicted)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 1.94 · 1.94±0.10(Predicted)
물리적 상태: 수정 같은
색상: 하얀색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5/h6-7H,1-5H3
InChIKey: HLXOVAMYQUFLPE-UHFFFAOYSA-N
SMILES: N1(C)C(B2OC(C)(C)C(C)(C)O2)=CC=N1

화학적 성질

White to light brown solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29349990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is used as a pharmaceutical intermediate, agrochemical intermediate.

상·하류 제품 정보

상류 원료

붕산트리메틸 Pinacol 노르말헥산 질소 톨루엔 테트라하이드로푸란 디에틸에테르 모리큘라시브 보릭산트리이소프로필에스테르 1-메틸피라졸 부틸리튬 (1-메틸-1H-피라졸-5-일)-보론산

하류 제품

1-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 5-(1-methyl-1H-pyrazol-5-yl)-2-Pyrimidinecarboxylic acid methyl 4-(1-methyl-1H-pyrazol-5-yl)furan-2-carboxylate

공급사50 곳

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

衢州润东化工有限公司0570-8789886 18892685668 · [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]

연결된 노트

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