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

HCID 2795311

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 844891-04-9
표준 SMILES: Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1
InChIKey: IZNGYNMIIVJWSO-UHFFFAOYSA-N
분자식: C12H21BN2O2
평균 분자량: 236.12 g/mol
단동위원소 질량: 236.1696081

이름 및 식별자

우선 이름: 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
영어명: 1,3,5-TRIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
분자식: C12H21BN2O2
분자량: 236.12

이름 및 동의어

844891-04-91,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleDTXSID20383620RefChem:412656DTXCID90334644677-047-41,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol esterMFCD066590621,3,5-trimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1,3,5-Trimethylpyrazole-4-boronic Acid Pinacol EsterSCHEMBL252454

이름 더 보기

1,3,5-Trimethyl-1H-pyrazole-4-boronicacid,pinacolester97%1,3,5-Trimethyl-1H-pyrazol-4-ylboronic acid pinacol ester1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester 97%1,3,5-triMethyl-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-py2-(1,3,5-Trimethyl-4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(1,3,5-Trimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CS-W000979(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1,3,5-trimethyl-1H-pyrazole-4-boronic pinacol esterZ13367452174-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,3,5-trimethyl-pyrazoleSBB098529AKOS004910745AB25916

데이터베이스 식별자

CAS: 844891-04-9
PubChem CID: 2795311
DTXSID: DTXSID20383620
EC Number: 677-047-4
Nikkaji: J2.139.003H

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: 17
형식 전하: 0
복잡도: 293

물리화학적 성질

녹는점: 91 · 91-93°C
끓는 점: 335.7 · 335.7±42.0 °C(Predicted)
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.13 · 3.13±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C12H21BN2O2/c1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13/h1-7H3
InChIKey: IZNGYNMIIVJWSO-UHFFFAOYSA-N
SMILES: Cc1nn(C)c(C)c1B2OC(C)(C)C(C)(C)O2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933199090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-22
위험 참고 사항: Harmful
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

보론산,B-(1,3,5-트리메틸-1H-피라졸-4-일)-4-브로모-1,3,5-트리메틸-1H-피라졸 3,5-다이메틸하이드로-4-붕산,피나콜에스테르 4-브로모-3,5-디메틸피라졸 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Pinacol 요오드 메탄 탄산 칼륨 아세톤

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

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

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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