5-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

HCID 22180790

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 461451-63-8
표준 SMILES: CC1(C)OB(c2ccc(F)cc2C#N)OC1(C)C
InChIKey: IMEIHRCZDURBEC-UHFFFAOYSA-N
분자식: C13H15BFNO2
평균 분자량: 247.07 g/mol
단동위원소 질량: 247.11798734

이름 및 식별자

우선 이름: 5-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC: 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
영어명: 2-Cyano-4-fluorophenylboronic acid pinacol ester
분자식: C13H15BFNO2
분자량: 247.07

이름 및 동의어

5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileRefChem:535775833-142-4461451-63-82-CYANO-4-FLUOROPHENYLBORONIC ACID PINACOL ESTER5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileMFCD092604442-CYANO-4-FLUOROPHENYLBORONICACIDPINACOLESTERZ18488960145-Fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile5-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrileSCHEMBL2650777

이름 더 보기

2-Cyano-4-fluorophenylboronic Acid Pinacol Ester - [C23771]5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileBenzonitrile, 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

(2-CYANO-4-FLUOROPHENYL)BORONIC ACID PINACOL ESTERDTXSID00623314SBB100209AKOS016005499AB49977NCGC00662665-01AS-72356SY059455

데이터베이스 식별자

CAS: 461451-63-8
PubChem CID: 22180790
DTXSID: DTXSID00623314
EC Number: 833-142-4

물성

구조 계산 물성

극성 표면적: 42.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 360

물리화학적 성질

끓는 점: 348.5 · 348.5±32.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체

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, P317, 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.