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

HCID 2773987

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 761446-44-0
표준 SMILES: Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: UCNGGGYMLHAMJG-UHFFFAOYSA-N
분자식: C10H17BN2O2
평균 분자량: 208.07 g/mol
단동위원소 질량: 208.13830818

이름 및 식별자

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

이름 및 동의어

761446-44-01-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID40378816RefChem:76305DTXCID40329843616-293-91-Methylpyrazole-4-boronic acid pinacol esterMFCD037892591-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-methyl-1h-pyrazole-4-boronic acid pinacol ester1H-PYRAZOLE, 1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

이름 더 보기

1-Methyl-4-(4e-4-boronic acid pinacoL1-Methylpyrazole-4-boroni...1-Methyl-4-(4,4,5,5-TetramethyTranexamic Acid Impurity 27-13C2

1-Methyl-4-pyrazole boronic acid pinacol ester1-methyl-pyrazole-4-boronic acid pinacol esterAKOS0052590081-Methy-4-(4,4,5,5,-tertamethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)-1H-pyrazole4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-METHYLPYRAZOLE1-?Methyl-?4-?(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?-?1H-?pyrazole; (1-Methyl-1H-pyrazol-4-yl)boronic Acid Pinacol Ester;1-METHYL-4-1H-PYRAZOLEBORONIC ACID, PINACOL ESTER;1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-1H-PYRAZOLE;1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE;1-METHYL-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER;1-METHYLPYRAZOLE-4-BORO

데이터베이스 식별자

CAS: 761446-44-0
PubChem CID: 2773987
DTXSID: DTXSID40378816
EC Number: 616-293-9
Nikkaji: J2.139.002J

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: 59 · 59-64 °C(lit.)
끓는 점: 308.3 · 308.3±15.0 °C(Predicted)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.09 · 2.09±0.10(Predicted)
물리적 상태: 크리스탈
색상: 황백색에서 노란색까지
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3
InChIKey: UCNGGGYMLHAMJG-UHFFFAOYSA-N
SMILES: N1(C)C=C(B2OC(C)(C)C(C)(C)O2)C=N1

화학적 성질

White to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (98.2%): 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 56 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29349990
risk_code: 22-36/37/38
hazard_code: Xn,F,Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
위험 참고 사항: Irritant/Flammable
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

1-메틸-1H-피라졸-5-보론산피나콜에스테르 7-bromo-2-(1-methyl-1H-pyrazol-4-yl)Quinoxaline 1-(2,2-difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

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