1-Ethylpyrazole-5-boronic acid, pinacol ester

HCID 53217252

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1007110-53-3
표준 SMILES: CCn1nccc1B1OC(C)(C)C(C)(C)O1
InChIKey: PKJCXHILXIEALN-UHFFFAOYSA-N
분자식: C11H19BN2O2
평균 분자량: 222.09 g/mol
단동위원소 질량: 222.15395825

이름 및 식별자

우선 이름: 1-Ethylpyrazole-5-boronic acid, pinacol ester
IUPAC: 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
영어명: 1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
분자식: C11H19BN2O2
분자량: 222.09

이름 및 동의어

1-ethylpyrazole-5-boronic acid, pinacol esterRefChem:432658813-200-51007110-53-31-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-ETHYLPYRAZOLE-5-BORONIC ACID PINACOL ESTER1-ethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleMFCD166590091-ETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLE1H-PYRAZOLE, 1-ETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-(1-ETHYL-1H-PYRAZOL-5-YL)BORONIC ACID PINACOL ESTER1-ethylpyrazole-5-boronic acid,pinacol ester

이름 더 보기

1-Ethyl-1H-pyrazole-5-boronic acid pinacol ester1-Ethylpyrazole-5-boronic acid pinacol ester - [E10402]

SCHEMBL1530333DTXSID40682349N-ethylpyrazole-5- boronic esterPKJCXHILXIEALN-UHFFFAOYSA-NSTL415200AKOS015921212CS-W001067PB21399

데이터베이스 식별자

CAS: 1007110-53-3
PubChem CID: 53217252
DTXSID: DTXSID40682349
EC Number: 813-200-5

물성

구조 계산 물성

극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

끓는 점: 322.6 · 322.6±15.0 °C(Predicted)
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 1.96 · 1.96±0.10(Predicted)
물리적 상태: 고체
색상: 베이지색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.