[2-Chloro-4-(trifluoromethyl)phenyl]boronic acid

HCID 2783251

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 254993-59-4
표준 SMILES: OB(O)c1ccc(C(F)(F)F)cc1Cl
InChIKey: JKSUCAFAUNSPLO-UHFFFAOYSA-N
분자식: C7H5BClF3O2
평균 분자량: 224.37 g/mol
단동위원소 질량: 224.0023217

이름 및 식별자

우선 이름: [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid
IUPAC: [2-chloro-4-(trifluoromethyl)phenyl]boronic acid
영어명: 2-Chloro-4-trifluoromethylphenylboronic acid
분자식: C7H5BClF3O2
분자량: 224.37

이름 및 동의어

[2-chloro-4-(trifluoromethyl)phenyl]boronic Acid(2-chloro-4-(trifluoromethyl)phenyl)boronic acidRefChem:395600672-943-1254993-59-42-Chloro-4-(trifluoromethyl)phenylboronic acid2-Chloro-4-trifluoromethylphenylboronic acid2-Chloro-4-(trifluoromethyl)benzeneboronic acidC7H5BClF3O2MFCD02684337DTXSID60382536AKOS004119244

이름 더 보기

AKOS BRN-05744-Borono-3-chlorobenzotrifluoride4-chloro-2-(difluoromethoxy)benzoic acid2Chloro4TrifluoromethoxyphenylboronoicAcid2-Chloro-4-(trifluoromethyl) benzeneboronic2-chloro-4-(trifluoromethyl)phenyl]boronicaci

SY0146352-Chloro-4-(trifluoromethyl)phenylboronicacidBoronic acid, [2-chloro-4-(trifluoromethyl)phenyl]-AM20050332SCHEMBL8376962-Chloro-4-(trifluoromethyl)ph2-Cholro-4-flurophenylboronic acidSBB096690

데이터베이스 식별자

CAS: 254993-59-4
PubChem CID: 2783251
DTXSID: DTXSID60382536
EC Number: 672-943-1

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 200

물리화학적 성질

녹는점: 110 · 110-112°C
끓는 점: 281.5 · 281.5±50.0 °C(Predicted)
밀도: 1.49 · 1.49±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 7.52 · 7.52±0.58(Predicted)
색상: 하얀색
BRN: 9263388 · 9263388

화학적 성질

White to light yellow solid

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 21 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.