3-플루오로-4-(메틸카르바모일)벤젠붕소산

3-Fluoro-4-(methylcarbamoyl)benzeneboronic acid

HCID 44717467

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 849833-86-9
표준 SMILES: CNC(=O)c1ccc(B(O)O)cc1F
InChIKey: IVSXSBGNMOZTJR-UHFFFAOYSA-N
분자식: C8H9BFNO3
평균 분자량: 196.97 g/mol
단동위원소 질량: 197.0659515

이름 및 식별자

우선 이름: 3-Fluoro-4-(methylcarbamoyl)benzeneboronic acid
IUPAC: [3-fluoro-4-(methylcarbamoyl)phenyl]boronic acid
현지명: 3-플루오로-4-(메틸카르바모일)벤젠붕소산
영어명: 3-FLUORO-4-(METHYLCARBAMOYL)BENZENEBORONIC ACID
분자식: C8H9BFNO3
분자량: 196.97

이름 및 동의어

3-FLUORO-4-(METHYLCARBAMOYL)BENZENEBORONIC ACIDRefChem:501722691-000-5849833-86-9(3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid3-Fluoro-4-(methylcarbamoyl)phenylboronic acidN-Methyl 4-borono-2-fluorobenzamide[3-fluoro-4-(methylcarbamoyl)phenyl]boronic acidMFCD08436026N-methyl-4-bor(3-Fluoro-4-(methylcarbamoyl)phenyl)boronicacid3-Fluoro-4-(methylaminocarbonyl)phenylboronic acid

이름 더 보기

3-플루오로-4-(메틸카르바모일)벤젠붕소산4-Borono-2-fluoro-N-methylbenzamide3-Fluoro-4-formamidophenylboronic acid3-Fluoro-4-(methylcarbamoyl)benzeneboronic3-Fluoro-4-methylamide-phenylboronic acid,3-Fluoro-4-(methylcarbamoyl)benzeneboronicacid98%3-Fluoro-4-(methylcarbamoyl)benzeneboronic acid 98%(3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid - [F89469]

SCHEMBL245377DTXSID40660187IVSXSBGNMOZTJR-UHFFFAOYSA-NSBB092086AKOS006222703PS-9491SY056733DB-058138

데이터베이스 식별자

CAS: 849833-86-9
PubChem CID: 44717467
DTXSID: DTXSID40660187
EC Number: 691-000-5

물성

구조 계산 물성

극성 표면적: 69.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 173 · 173-175
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 7.24 · 7.24±0.18(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.