(3,5-Difluorophenyl)boronic acid

HCID 2734338

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 156545-07-2
표준 SMILES: OB(O)c1cc(F)cc(F)c1
InChIKey: QWQBQRYFWNIDOC-UHFFFAOYSA-N
분자식: C6H5BF2O2
평균 분자량: 157.91 g/mol
단동위원소 질량: 158.03506624

이름 및 식별자

우선 이름: (3,5-Difluorophenyl)boronic acid
IUPAC: (3,5-difluorophenyl)boronic acid
영어명: 3,5-Difluorophenylboronic acid
분자식: C6H5BF2O2
분자량: 157.91

이름 및 동의어

156545-07-2(3,5-difluorophenyl)boronic acid[3,5-difluorophenyl]boronic acidRefChem:399373605-060-73,5-Difluorophenylboronic acid3,5-Difluorobenzeneboronic Acid3,5-difluorophenyl boronic acidBORONIC ACID, B-(3,5-DIFLUOROPHENYL)-MFCD01318138SCHEMBL1248473,5-difluoro-phenylboronic acid

이름 더 보기

AKOS BRN-0091RARECHEM AH PB 01673,5-Difluorophenylbo3,5-Difluorobenzeneboronicacid98%3,5-DIFLUOROPHENYLBORONIC ACID 98%3,5-Difluorophenylboronic acid,98%3,5-Difluorophenylboronic acid Cas3,5-Difluorobenzeneboronic acid 98%

3,5-difluorophenyl-boronic acidBDBM927173,5-difluorobenzene boronic acidDTXSID90370229GS-6738(3,5-Difluorophenyl)Boranediol3,5-Difluorophenylboronic acid (contains varying amounts of Anhydride)Boronic acid, (3,5-difluorophenyl)- (9CI)

데이터베이스 식별자

CAS: 156545-07-2
PubChem CID: 2734338
DTXSID: DTXSID90370229
UNII: JD5DY73A3Z
EC Number: 605-060-7
Nikkaji: J1.049.856B

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: 210 · 210-217 °C (lit.)
끓는 점: 266.9 · 266.9±50.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 6.46 · 6.46±0.10(Predicted)
물리적 상태: 가루
색상: White to Orange to Green
BRN: 6800882 · 6800882
InChI: InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKey: QWQBQRYFWNIDOC-UHFFFAOYSA-N
SMILES: B(C1=CC(F)=CC(F)=C1)(O)O

화학적 성질

White to beige-yellowish powder

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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-20-19-11-22
hazard_code: Xi,Xn,F
safety_code: 26-36-33-16-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,5-Difluorophenylboronic Acid is used in the synthesis of N-thiazol-2-yl-benzamides as glucokinase (GK) activators for treatment of type 2 diabetes mellitus (T2DM).