1-(2-Methoxyethyl)-1H-pyrazole-4-boronic acid, pinacol ester

HCID 11230491
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기본 정보

CAS
847818-71-7
표준 SMILES
COCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey
NZMICYAXDXTDJV-UHFFFAOYSA-N
분자식
C12H21BN2O3
평균 분자량
252.12 g/mol
단동위원소 질량
252.16452293

이름 및 식별자

우선 이름
1-(2-Methoxyethyl)-1H-pyrazole-4-boronic acid, pinacol ester
IUPAC
1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
영어명
1-(2-Methoxyethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
분자식
C12H21BN2O3
분자량
252.12

이름 및 동의어

1-(2-METHOXYETHYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTERRefChem:422346809-875-0847818-71-71-(2-Methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD12405649C12H21BN2O31-(2-methoxyethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleSCHEMBL253540PB26830F2147-7286
이름 더 보기
Pinacol 1-(2-methoxyethyl)-4-pyrazolyl-boronate1-(Methoxyethyl)-1H-pyrazole-4-boronic acid pinacol ester1-(2-METHOXYETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-1-(2-Methoxyethyl)-1H-pyrazole-4-boronic acid pinacol ester - [M15194]
1-(2-Methoxyethyl)-1H-pyrazole-4-boronic acid pinacol ester1-[2-(methyloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleAM859261-(2-Methoxyethyl)pyrazole-4-boronic Acid Pinacol EsterDTXSID30459502NZMICYAXDXTDJV-UHFFFAOYSA-N(1-(2-METHOXYETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1-(2-Methoxyethyl)pyrazole-4-boronic

데이터베이스 식별자

CAS
847818-71-7
PubChem CID
11230491
DTXSID
DTXSID30459502
EC Number
809-875-0
Nikkaji
J2.138.999D

물성

구조 계산 물성

극성 표면적
45.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
18

물리화학적 성질

녹는점
54 °C · 54 °C
끓는 점
356.4 · 356.4±22.0 °C(Predicted)
밀도
1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태
powder to crystal
산도 계수 (pKa)
1.87 · 1.87±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호
2933199090

화학 및 산업

상·하류 제품 정보

공급사65 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海有米得科技有限公司18964944463 · [email protected]

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