3-페닐-1-인다논

1-Indanone, 3-phenyl-

HCID 98146CAS 16618-72-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CC(c2ccccc2)c2ccccc21
InChIKey: SIUOTMYWHGODQX-UHFFFAOYSA-N
분자식: C15H12O
평균 분자량: 208.25 g/mol
단동위원소 질량: 208.088815

이름 및 식별자

우선 이름: 1-Indanone, 3-phenyl-
IUPAC: 3-phenyl-2,3-dihydroinden-1-one
현지명: 3-페닐-1-인다논
영어명: 3-PHENYL-1-INDANONE
분자식: C15H12O
분자량: 208.26

이름 및 동의어

3-Phenyl-1-indanone16618-72-71H-Inden-1-one, 2,3-dihydro-3-phenyl-1-Indanone, 3-phenyl-3-PhenylindanoneNSC 82364BRN 1370263DTXSID7013140274-07-00-01673 (Beilstein Handbook Reference)RefChem:433222(+-)-3-Phenyl-1-indanoneDTXCID20894140

이름 더 보기

3-페닐-1-인다논AKOS BC-09643-phenyl-1-indanonTIMTEC-BB SBB008151

1H-Inden-1-one, 2,3-dihydro-3-phenyl-(9CI)625-438-53-Phenyl-2,3-dihydro-1H-inden-1-one3-Phenylindan-1-one3-phenyl-2,3-dihydroinden-1-oneMFCD00037722NSC82364MLS000691949

데이터베이스 식별자

CAS: 16618-72-7
PubChem CID: 98146
DTXSID: DTXSID701314027
ChEMBL: CHEMBL1571712
EC Number: 625-438-5
Nikkaji: J36.988H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 265

물리화학적 성질

녹는점: 75 · 75-78 °C (lit.)
끓는 점: 148 °C/0.7 · 148 °C/0.7 mmHg (lit.)
밀도: 1.162 · 1.162
굴절률: 1.5361 · 1.5361 (estimate)
저장 조건: Sealed in dry,Room Temperature
InChI: 1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2
InChIKey: SIUOTMYWHGODQX-UHFFFAOYSA-N
SMILES: O=C1CC(c2ccccc2)c3ccccc13

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.；Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.；There is 1 notification provided by 39 of 40 reports by companies with hazard statement code(s).；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%)

안전 데이터

wgk: 3
rtecs: NK7538200
독성: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02960,
risk_code: 22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids