5-broMo-6-메톡시-1-인다논

5-Bromo-6-methoxy-1-indanone

HCID 22278718

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 187872-11-3
표준 SMILES: COc1cc2c(cc1Br)CCC2=O
InChIKey: UOPZFPWKIZTDRV-UHFFFAOYSA-N
분자식: C10H9BrO2
평균 분자량: 241.08 g/mol
단동위원소 질량: 239.97859

이름 및 식별자

우선 이름: 5-Bromo-6-methoxy-1-indanone
IUPAC: 5-bromo-6-methoxy-2,3-dihydroinden-1-one
현지명: 5-broMo-6-메톡시-1-인다논
영어명: 5-broMo-6-Methoxy-1-indanone
분자식: C10H9BrO2
분자량: 241.08

이름 및 동의어

5-Bromo-6-methoxy-1-indanoneRefChem:533854683-598-1187872-11-35-Bromo-6-methoxy-2,3-dihydro-1H-inden-1-one5-BROMO-6-METHOXY-2,3-DIHYDROINDEN-1-ONE1H-Inden-1-one, 5-bromo-2,3-dihydro-6-methoxy-MFCD110440625-bromo-6-methoxyindan-1-one5-bromo-6-methoxy-indan-1-oneSCHEMBL1561740DTXSID00624240

이름 더 보기

5-broMo-6-메톡시-1-인다논5-Bromo-6-methoxy-1-indanone 97%1H-?Inden-?1-?one, 5-?bromo-?2,?3-?dihydro-?6-?methoxy-

UOPZFPWKIZTDRV-UHFFFAOYSA-NAKOS0221862505-Bromo-6-methoxy-1-indanone, 97%AS-48712SY240028CS-0128204F52786F450202

데이터베이스 식별자

CAS: 187872-11-3
PubChem CID: 22278718
DTXSID: DTXSID00624240
EC Number: 683-598-1

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 150 · 150-155°C
끓는 점: 351.4 · 351.4±42.0 °C(Predicted)
밀도: 1.553 · 1.553±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
물리적 상태: solid
InChI: 1S/C10H9BrO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
InChIKey: UOPZFPWKIZTDRV-UHFFFAOYSA-N
SMILES: COc1cc2C(=O)CCc2cc1Br

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): 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.；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.