CAS 182344-18-9 2-Chloro-5-(trifluoromethyl)phenylboronic acid (HCID 2782670)

기본 정보

CAS: 182344-18-9
표준 SMILES: OB(O)c1cc(C(F)(F)F)ccc1Cl
InChIKey: YVMXEHZEYONARR-UHFFFAOYSA-N
분자식: C7H5BClF3O2
평균 분자량: 224.37 g/mol
단동위원소 질량: 224.00232214

이름 및 식별자

우선 이름: 2-Chloro-5-(trifluoromethyl)phenylboronic acid
IUPAC: [2-chloro-5-(trifluoromethyl)phenyl]boronic acid
영어명: 2-Chloro-5-(trifluoromethyl)phenylboronic acid
분자식: C7H5BClF3O2
분자량: 224.37

이름 및 동의어

182344-18-92-Chloro-5-(trifluoromethyl)phenylboronic acidDTXSID90382201RefChem:258902DTXCID20333226627-479-42-Chloro-5-(trifluoromethyl)benzeneboronic acid[2-chloro-5-(trifluoromethyl)phenyl]boronic Acid2-chloro-5-trifluoromethylphenylboronic acidMFCD007973352-Chloro-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)Boronic acid, B-[2-chloro-5-(trifluoromethyl)phenyl]-

이름 더 보기

AKOS BRN-02262-Chloro-5-(Trifluoromethyl)PhChloro-5-(trifluoroMethyl)benzeneboroni2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLBORON&2-chloro-5-trifluoromethphenylboronic acid2-chloro-5-(trifluoromethyl)phenyl]boronicaci

BP-11444EN300-8619992-chloro-5-(trifluoromethyl)phenyl boronic acid(2-chloro-5-(trifluoromethyl)phenyl)boronic acid2-chloro-5-(trifluoromethyl)-phenyl boronic acidZ12691612362-chloro-5-trifluoromethyl-phenylboronic acidBoronic acid, [2-chloro-5-(trifluoromethyl)phenyl]-

데이터베이스 식별자

CAS: 182344-18-9
PubChem CID: 2782670
DTXSID: DTXSID90382201
EC Number: 627-479-4
Nikkaji: J2.460.634A

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: 108 °C · 108 °C
끓는 점: 303.2 · 303.2±52.0 °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
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 7.26 · 7.26±0.58(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C7H5BClF3O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChIKey: YVMXEHZEYONARR-UHFFFAOYSA-N
SMILES: B(C1=CC(C(F)(F)F)=CC=C1Cl)(O)O

화학적 성질

Off-white Cryst

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)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.