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

HCID 56965771

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1002334-12-4
표준 SMILES: CC1(C)OB(c2cnn(-c3ccccc3)c2)OC1(C)C
InChIKey: XPAJFLOIPDXRRD-UHFFFAOYSA-N
분자식: C15H19BN2O2
평균 분자량: 270.14 g/mol
단동위원소 질량: 270.15395825

이름 및 식별자

우선 이름: 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
영어명: 1-Phenylpyrazol-4-boronic acid
분자식: C15H19BN2O2
분자량: 270.13

이름 및 동의어

1002334-12-41-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID40719245RefChem:233172DTXCID20669991894-073-3MFCD124009411-Phenyl-1H-pyrazole-4-boronic acid pinacol ester1-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLE1-phenyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1H-Pyrazole, 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Phenylpyrazole-4-boronic acid pinacol ester

이름 더 보기

1-Phenylpyrazol-4-boronic acid

SCHEMBL27837XPAJFLOIPDXRRD-UHFFFAOYSA-N(1-PHENYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015919975CS-W000782GS-5757SB15553DA-18933

데이터베이스 식별자

CAS: 1002334-12-4
PubChem CID: 56965771
DTXSID: DTXSID40719245
EC Number: 894-073-3

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: 20
형식 전하: 0
복잡도: 340

물리화학적 성질

끓는 점: 389.8 · 389.8±15.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): -0.58 · -0.58±0.10(Predicted)

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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.