3,5-Dichlorophenylboronic acid (HCID 2734331)

이름 및 식별자

우선 이름: 3,5-Dichlorophenylboronic acid
IUPAC: (3,5-dichlorophenyl)boronic acid
영어명: 3,5-Dichlorophenylboronic acid
분자식: C6H5BCl2O2
분자량: 190.82

이름 및 동의어

3,5-Dichlorophenylboronic acid67492-50-6DTXSID70370222RefChem:271695DTXCID10321258628-675-2(3,5-dichlorophenyl)boronic Acid3,5-Dichlorobenzeneboronic AcidMFCD000519353,5-Dichlorophenyl boronic acid3,5-dichrolo phenyl boronic acid(3,5-dichlorophenyl)boranediol

이름 더 보기

AKOS BRN-0088RARECHEM AH PB 00883,5-Dichlorophenylbo3,5-Dichlophenylboronic acid3,5-dichloeophenylboronicacid3,5-Dichlorophenylboronic 97% +3,5-DICHLOROPHENYLBORONIC ACID 98%

3,5-Dichlorophenylboronicacid3,5-dichloro phenylboronic acid3,5-Dichlorobenylboronic acidSCHEMBL177673orb29400403,5-dichloro-phenylboronic acid3,5-dichlorophenyl-boronic acid3,5-dichloro benzeneboronic acid

데이터베이스 식별자

CAS: 67492-50-6
PubChem CID: 2734331
DTXSID: DTXSID70370222
EC Number: 628-675-2
Nikkaji: J732.735H

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: 315 °C · 315 °C
끓는 점: 351.7 · 351.7±52.0 °C(Predicted)
밀도: 1.47 · 1.47±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 6.58 · 6.58±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 7581091 · 7581091
InChI: 1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKey: DKYRKAIKWFHQHM-UHFFFAOYSA-N
SMILES: OB(O)c1cc(Cl)cc(Cl)c1

화학적 성질

white to off-white powder

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 (97.9%): 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 48 reports by companies from 8 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38-22-19-11
hazard_code: Xi,Xn,F
safety_code: 26-36-37/39-33-16
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in:• ;Suzuki-Miyaura cross-coupling1,2• ;Trifluoromethylation3• ;Intramolecular aromatic carbenoid insertion of biaryldiazoacetates4• ;Cyanation for the synthesis of aromatic nitriles5• ;Lithiation of dihalophenyl dioxazaborocines for synthesis of functionalized dihalophenyl boronic acid6