5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one

HCID 58074623

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 862081-37-6
표준 SMILES: CC1(C)OB(c2ccc3c(c2)COC3=O)OC1(C)C
InChIKey: OPVQSJKJDSJOJD-UHFFFAOYSA-N
분자식: C14H17BO4
평균 분자량: 260.1 g/mol
단동위원소 질량: 260.1219892

이름 및 식별자

우선 이름: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one
영어명: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one
분자식: C14H17BO4
분자량: 260.09

이름 및 동의어

862081-37-65-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-oneRefChem:530053812-623-25-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2-benzofuran-1-oneMFCD18251723(1-Oxo-1,3-dihydroisobenzofuran-5-yl)boronic acid pinacol ester1-Oxo-1,3-dihydroisobenzofuran-5-boronic Acid Pinacol Ester5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-benzofuran-1(3H)-one5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isobenzofuran-1-oneSCHEMBL508450

이름 더 보기

Phthalide-5-boronic acid pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1(3H)-isobenzofuranone1(3H)-Isobenzofuranone, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Isobenzofuran-1(3H)-One(WX652032)

orb3022617SCHEMBL30938199TPL0442OPVQSJKJDSJOJD-UHFFFAOYSA-NAKOS015943016AS-2795CS-W0204965-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2-benzofuran-1-one

데이터베이스 식별자

CAS: 862081-37-6
PubChem CID: 58074623
EC Number: 812-623-2
Nikkaji: J3.801.812D

물성

구조 계산 물성

극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 377

물리화학적 성질

저장 조건: Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2932990090

화학 및 산업

응용 분야

용도5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one is used to design to find inhibitors of the lymphocyte pore-forming protein perforin.