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

HCID 49757986

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1206640-82-5
표준 SMILES: CC1(C)OB(c2cnn(C(F)F)c2)OC1(C)C
InChIKey: SACVSUQLLHEZLY-UHFFFAOYSA-N
분자식: C10H15BF2N2O2
평균 분자량: 244.05 g/mol
단동위원소 질량: 244.11946456

이름 및 식별자

우선 이름: 1-(difluoromethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
영어명: 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
분자식: C10H15BF2N2O2
분자량: 244.05

이름 및 동의어

1-(DIFLUOROMETHYL)-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLERefChem:427671839-936-71206640-82-51-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleMFCD17011852C10H15BF2N2O21-(DIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLE1-(Difluoromethyl)pyrazole-4-boronic acid pinacol ester1-(difluoromethyl)-1h-pyrazole-4-boronic acid pinacol esterEN300-317238Z1741969936

이름 더 보기

1-(Difluoromethyl)pyrazole-4-boronic aci1-(difluoroMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-y1H-Pyrazole, 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan1-difluoromethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-pyrazoleBCP11692FT-0728283(1-(DIFLUOROMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1-(Difluoromethyl)pyrazole-4-SCHEMBL1989062DTXSID40677816

데이터베이스 식별자

CAS: 1206640-82-5
PubChem CID: 49757986
DTXSID: DTXSID40677816
EC Number: 839-936-7

물성

구조 계산 물성

극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 286

물리화학적 성질

끓는 점: 294.9 · 294.9±40.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -1.01 · -1.01±0.19(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C10H15BF2N2O2/c1-9(2)10(3,4)17-11(16-9)7-5-14-15(6-7)8(12)13/h5-6,8H,1-4H3
InChIKey: SACVSUQLLHEZLY-UHFFFAOYSA-N
SMILES: N1(C(F)F)C=C(B2OC(C)(C)C(C)(C)O2)C=N1

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)

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.