3-(Dimethylamino)benzeneboronic acid

HCID 2762527

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 178752-79-9
표준 SMILES: CN(C)c1cccc(B(O)O)c1
InChIKey: YZQQHZXHCXAJAV-UHFFFAOYSA-N
분자식: C8H12BNO2
평균 분자량: 165 g/mol
단동위원소 질량: 165.09610902

이름 및 식별자

우선 이름: 3-(Dimethylamino)benzeneboronic acid
IUPAC: [3-(dimethylamino)phenyl]boronic acid
영어명: 3-Dimethylaminophenylboronic acid
분자식: C8H12BNO2
분자량: 165

이름 및 동의어

3-(Dimethylamino)benzeneboronic acidRefChem:495053628-565-4178752-79-93-(N,N-Dimethylamino)phenylboronic acid3-Dimethylaminophenylboronic acid(3-(dimethylamino)phenyl)boronic acid[3-(dimethylamino)phenyl]boronic acid3-(dimethylamino)phenylboronic acidMFCD01318996Boronic acid, B-[3-(dimethylamino)phenyl]-3-dimethylaminophenyl boronic acid

이름 더 보기

AKOS BRN-04503-(N,N-DimethyL3-(Dimethylamino)Phenylboronic3-DIMETHYLAMINOPHENYLBORONIC ACID HCL3-(N,N-Dimethylamino)phenylboronicaciB-[3-(DiMethylaMino)phenyl]boronic Acid3-(Dimethylamino)benzeneboronic acid 96%

3-(dimethylamino) phenylboronic acid3-(dimethylamino)phenyl boronic acidAB08808SY007391[3-(DIMETHYLAMINO)PHENYL]-BORONIC ACIDEN300-316289Boronic acid, [3-(dimethylamino)phenyl]-3-(dimethy

데이터베이스 식별자

CAS: 178752-79-9
PubChem CID: 2762527
DTXSID: DTXSID90376286
EC Number: 628-565-4
Nikkaji: J3.152.553E

물성

구조 계산 물성

극성 표면적: 43.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 191 · 191-193°C
끓는 점: 344 · 344.0±44.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.54 · 8.54±0.10(Predicted)
색상: Pale Green to Pale Grey
InChI: InChI=1S/C8H12BNO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey: YZQQHZXHCXAJAV-UHFFFAOYSA-N
SMILES: B(C1=CC=CC(N(C)C)=C1)(O)O

화학적 성질

Solid

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 40 reports by companies from 3 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
ridadr: UN 3335
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Reactant involved in synthesis of different protein effector including:Modulators of survival motor neuron proteinGlucokinase activatorsAryl ethers for use as Bacillus anthracis enoyl-ACP reductase inhibitorsReactant involved in synthesis of: Thiourea-functionalized paracyclophanesLow-background fluorescent imaging agents for nitric oxideReactant to undergo regioselective iodination and bromination

일반 설명May contain varying amounts of anhydride

상·하류 제품 정보

상류 원료

공급사93 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

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