2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

HCID 70975061

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1408089-23-5
표준 SMILES: Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2o1
InChIKey: QFHIOYSELCPERT-UHFFFAOYSA-N
분자식: C14H18BNO3
평균 분자량: 259.11 g/mol

이름 및 식별자

우선 이름: 2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
IUPAC: 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
영어명: 2-Methylbenzo[d]oxazol-6-ylboronic acid pinacol ester
분자식: C14H18BNO3
분자량: 259.11

이름 및 동의어

1408089-23-52-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazoleRefChem:475784833-209-82-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]OXAZOLE2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazoleMFCD131819712-Methylbenzoxazole-6-boronic Acid Pinacol EsterBenzoxazole, 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-METHYLBENZO[D]OXAZOL-6-YLBORONIC ACID PINACOL ESTER(2-METHYLBENZO[D]OXAZOL-6-YL)BORONIC ACID PINACOL ESTERSCHEMBL13718340

이름 더 보기

2-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]OXAZOLE(WX652047)

(2-methyl-1,3-benzoxazol-6-yl)boronic acid pinacol esterQFHIOYSELCPERT-UHFFFAOYSA-NIGC08923AKOS024259291MB12489NCGC00662803-01AS-55641DA-45242

데이터베이스 식별자

CAS: 1408089-23-5
PubChem CID: 70975061
EC Number: 833-209-8

물성

구조 계산 물성

극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 345

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: 황백색에서 밝은 노란색까지
InChI: InChI=1S/C14H18BNO3/c1-9-16-11-7-6-10(8-12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChIKey: QFHIOYSELCPERT-UHFFFAOYSA-N
SMILES: O1C2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C2N=C1C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.