3'-Aminoacetophenone (HCID 7417)

개요

3'-Aminoacetophenone is an aromatic ketone.

이름 및 식별자

우선 이름: 3'-Aminoacetophenone
IUPAC: 1-(3-aminophenyl)ethanone
현지명: 3-아미노아세토페논
영어명: 3-Aminoacetophenone
분자식: C8H9NO
분자량: 135.16

이름 및 동의어

3'-Aminoacetophenone1-(3-Aminophenyl)ethanone99-03-6m-Aminoacetophenone3-AMINOACETOPHENONEEthanone, 1-(3-aminophenyl)-H366ULD45Xmeta-aminoacetophenoneNSC-7637DTXSID0021830RefChem:90303DTXCID601830

이름 더 보기

3-아미노아세토페논95.2aminoacetophenonem-amino-acetophenon3’-amino-acetophenon

202-722-33-Acetylanilinem-Acetylaniline1-(3-aminophenyl)ethan-1-onem-Aminoacetylbenzene3-AminoacetofenonAcetophenone, 3'-amino-Acetophenone, m-amino-

데이터베이스 식별자

CAS: 99-03-6
PubChem CID: 7417
DTXSID: DTXSID0021830
ChEMBL: CHEMBL3408644
ChEBI: CHEBI:182866
UNII: H366ULD45X
EC Number: 202-722-3
Nikkaji: J3.226C

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

Chemical ClassesIndustrial compound

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 94 · 94-98 °C(lit.)
끓는 점: 289 · 289-290 °C(lit.)
밀도: 1.1031 · 1.1031 (rough estimate)
증기압: 1.319 Pa · 1.319Pa at 25℃
굴절률: 1.57 · 1.5700 (estimate)
인화점: 289 · 289-291°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.41 · 3.41±0.10(Predicted)
색상: 노란색에서 밝은 갈색의 결정성 분말
수용성: 7.056 g/L · 7.056g/L(37.5ºC)
Merck: 14 · 14,413
BRN: 386009 · 386009
InChI: 1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
InChIKey: CKQHAYFOPRIUOM-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(N)c1
LogP: 0.83 · 0.83
NIST: 3 · 3-Aminoacetophenone(99-03-6)
EPA: 3 · 3-Aminoacetophenone (99-03-6)

화학적 성질

3-Aminoacetophenone is yellow to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Cease Manufacture Update: 09-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17591

3'-Aminoacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: AM5800000
HS 번호: 29223900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 36/37-36-26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(3-aminophenyl)-: ACTIVE

응용 분야

용도3'-Aminoacetophenone has potential anti-bacterial properties in addition to being used in the synthesis of selective antagonists at human A2B adenosine receptors. As well, it is used in the synthesis of HIV-1 Integrase Inhibitors.

일반 설명3′-Aminoacetophenone acts as bifunctional coupling reagent during the synthesis of pyrimidines.

상·하류 제품 정보

상류 원료

하류 제품

3'-Dimethylaminoacetophenone Aplpha-bromo-m-benzoyloxyacetophenone 3'-Hydroxyacetophenone 2-(3-아미노페닐)피리딘 3'-Acetamidoacetophenone 3-브로모-알파-메틸벤질알코올 벤젠술폰아미드,3-아세틸-(9CI)3-아미노스티렌 3'-요오도아세토페논 TIMTEC-BB SBB000780 N-(3-아세틸페닐)-3-클로로벤즈아미드 1-(3-아세틸페닐)-3-페닐루레아

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

南京科朗科技有限公司025-58748998 18951874644 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

불러오는 중…

3-아미노아세토페논

기본 정보

개요