(2-Bromophenyl)boronic acid (HCID 2773294)

이름 및 식별자

우선 이름: (2-Bromophenyl)boronic acid
IUPAC: (2-bromophenyl)boronic acid
영어명: 2-Bromophenylboronic acid
분자식: C6H6BBrO2
분자량: 200.83

이름 및 동의어

(2-bromophenyl)boronic AcidRefChem:395531678-199-42-Bromophenylboronic acid244205-40-12-Bromobenzeneboronic Acido-bromophenylboronic acidMFCD011146722-BromophenylboronicacidBoronic acid, (2-bromophenyl)-bromobenzeneboronic acid2-bromophenyl boronic acid

이름 더 보기

2-Bromophenylboronic Acid (contains varying amounts of Anhydride)o-BBBA2-broMoborateAKOS BRN-0929CAS:244205-40-1RARECHEM AH PB 00742-Bromophenylboronic

Boronic acid,B-(2-bromophenyl)-(2-bromophenyl)boronicAcid2-bromo phenyl boronic acid2-bromo-phenyl boronic acidSCHEMBL150114orb2940491SCHEMBL30546648DTXSID90378346

데이터베이스 식별자

CAS: 244205-40-1
PubChem CID: 2773294
DTXSID: DTXSID90378346
EC Number: 678-199-4
Nikkaji: J1.335.262C

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: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 113 °C · 113 °C(lit.)
끓는 점: 329.2 · 329.2±44.0 °C(Predicted)
밀도: 1.67 · 1.67±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 8.25 · 8.25±0.58(Predicted)
색상: 흰색에서 황백색까지
수용성: 메탄올에 용해됩니다. 물에 약간 용해됩니다.
BRN: 8542615 · 8542615
InChI: InChI=1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKey: PLVCYMZAEQRYHJ-UHFFFAOYSA-N
SMILES: B(C1=CC=CC=C1Br)(O)O

화학적 성질

White to off-white 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 46 reports by companies from 5 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: 29319090
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Bromobenzeneboronic acid is a boronic acid derivative that is widely used in organic synthesis for carbon-carbon bond formation. In Suzuki coupling, aryl halides and boronic acid aryl or vinyl esters or boronic acids are coupled using Pd(PPh3)4.

제조 방법 · 1건

2-Bromophenylboronic acid synthesis: take 2-bromoaniline as raw material, synthesize the intermediate 1-Bromo-2-iodobenzene through diazotization and iodination, and then carry out magnesium iodide exchange with isopropylmagnesium bromide to synthesize o-bromophenylmagnesium bromide, It is then subjected to substitution reaction with trimethyl borate to synthesize methyl o-bromophenylboronic acid, and then hydrolyzed to synthesize 2-bromophenylboronic acid.