6-Phenyl-2-pyridone

HCID 87889CAS 19006-82-7

기본 정보

표준 SMILES: O=c1cccc(-c2ccccc2)[nH]1
InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N
분자식: C11H9NO
평균 분자량: 171.199 g/mol
단동위원소 질량: 171.06841391

이름 및 식별자

우선 이름: 6-Phenyl-2-pyridone
IUPAC: 6-Phenylpyridin-2(1H)-one
영어명: 6-PHENYL-2-PYRIDONE
분자식: C11H9NO
분자량: 171.2

이름 및 동의어

PhenylpyridoneEinecs 242-740-96-PHENYL-2-PYRIDONE6-phenylpyridin-2-ol6-Phenylpyridin-2(1H)6-Phenylpyridine-2-ol6-Phenyl-2-pyridone>6-phenyl-2-pyridone95+%6-Phenyl-2(1H)-pyridone6-Phenylpyridin-2(1H)-one

데이터베이스 식별자

CAS: 19006-82-7
PubChem CID: 87889
DTXSID: DTXSID40172472
ChEMBL: CHEMBL1730128
UNII: 5H7X2M5BA4
EC Number: 242-740-9
Nikkaji: J102.358F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 197 °C · 197 °C
끓는 점: 417.1 · 417.1±38.0 °C(Predicted)
밀도: 1.158 · 1.158±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 10.82 · 10.82±0.10(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: 1S/C11H9NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-8H,(H,12,13)
InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N
SMILES: O=C1NC(=CC=C1)c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Eye Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Phenylpyridin-2(1H)-one is used as a reactant in the preparation of phenylaminopyrimidinones and its derivatives as orally active nonpeptidic inhibitors of human neutrophil elastase.