4-Aminobenzophenone (HCID 14346)

이름 및 식별자

우선 이름: 4-Aminobenzophenone
IUPAC: (4-aminophenyl)-phenylmethanone
영어명: 4-Aminobenzophenone
분자식: C13H11NO
분자량: 197.23

이름 및 동의어

4-Aminobenzophenone1137-41-3Methanone, (4-aminophenyl)phenyl-p-AminobenzophenoneBenzophenone, 4-amino-p-BenzoylanilineUSAF A-233NSC 76659VH7LQN5JEEINECS 214-506-6BRN 0389292AI3-03267

이름 더 보기

PABusafa-2334-aminobenzopenoneTIMTEC-BB SBB003574AMINOBENZOPHENONE-4

NSC-7665DTXSID80615574-14-00-00248 (Beilstein Handbook Reference)RefChem:518192DTXCID0033332214-506-6(4-aminophenyl)(phenyl)methanone4-BENZOYLANILINE

데이터베이스 식별자

CAS: 1137-41-3
PubChem CID: 14346
DTXSID: DTXSID8061557
ChEMBL: CHEMBL314211
UNII: 9VH7LQN5JE
EC Number: 214-506-6
Nikkaji: J43.314D

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 213

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 121 · 121-124 °C (lit.)
끓는 점: 246 °C · 246 °C (12.7517 mmHg)
밀도: 1.0957 · 1.0957 (rough estimate)
굴절률: 1.605 · 1.6050 (estimate)
인화점: 245 · 245-247°C/22mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 미세 결정성 분말
산도 계수 (pKa): 1 · pK1: 2.15(+1) (25°C)
색상: 노란색
수용성: 찬물, 알코올, 에테르에 용해됩니다.
BRN: 389292 · 389292
InChI: InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N
SMILES: C(C1=CC=C(N)C=C1)(C1=CC=CC=C1)=O
EPA: Methanone, (4-aminophenyl)phenyl- (1137-41-3)

화학적 성질

YELLOW FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (91.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DJ0175000
HS 번호: 29223990
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
F 고인화성물질: 8-10-23
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationMethanone, (4-aminophenyl)phenyl-: ACTIVE

응용 분야 · 2건

용도4-Aminobenzophenone is associated with 4-benzoylpyridine and it is used as a frequency doubler for semiconductor lasers. It is used in the preparation of 1-[4-[N,N-bis(trimethylsilyl)amino]phenyl]-1-phenylethylene. It is used as a precursor to prepare 1,2,3-triazoles, pyrimidotriazoles, benzothiazole and pyrimidinone derivatives. It is involved in the formation of coordination complexes with chromium(III).

일반 설명4-Aminobenzophenone (4-ABP) is the best derivative of benzophenone with 260 times higher second harmonic generation (SHG) efficiency than potassium dihydrogen phosphate (KDP), growth of high quality bulk crystal still remains a difficult task.