1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 53407213

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1000801-75-1
표준 SMILES: CC1(C)OB(c2cnn(CC3CC3)c2)OC1(C)C
InChIKey: LJUAHBJQFILHLS-UHFFFAOYSA-N
분자식: C13H21BN2O2
평균 분자량: 248.13 g/mol
단동위원소 질량: 248.16960831

이름 및 식별자

우선 이름: 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
영어명: 1-(CyclopropylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
분자식: C13H21BN2O2
분자량: 248.13

이름 및 동의어

1000801-75-11-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID00695819RefChem:226438DTXCID00646568896-884-8MFCD154748871-Cyclopropylmethyl-1H-pyrazole-4-boronic acid, pinacol ester1-(CYCLOPROPYLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLE1-(cyclopropylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1H-Pyrazole, 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-CYCLOPROPYLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE

이름 더 보기

1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid picol ester1-(Cyclopropylmethyl)pyrazole-4-boronic Acid Pinacol Ester1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid, pinacol ester 97%1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-diboronalkane-2-yl)-1H-pyridineazole1-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(contains varying amounts of Anhydride)

1-(cycl1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid pinacol esterSCHEMBL1559915LJUAHBJQFILHLS-UHFFFAOYSA-N(1-(CYCLOPROPYLMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015920208CS-W006691SB12170

데이터베이스 식별자

CAS: 1000801-75-1
PubChem CID: 53407213
DTXSID: DTXSID00695819
EC Number: 896-884-8

물성

구조 계산 물성

극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 315

물리화학적 성질

끓는 점: 362.8 · 362.8±15.0 °C(Predicted)
밀도: 1.14 · 1.14
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 2.07 · 2.07±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933199090

화학 및 산업

상·하류 제품 정보

상류 원료

4-피라졸보로닉산 피나콜 에스테르 4-브로모-1-(사이클로프로필메틸)-1H-피라졸(SALTDATA:HCl)1H-Pyrazole, 1-(cyclopropylmethyl)-4-iodo-Bis(pinacolato)diboron (Bromomethyl)cyclopropane 세슘 탄소산 N,N-다이메틸폼아마이드

공급사61 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

화합물 노트

불러오는 중…