4-브로모-1-인다논

4-브로모-1-인다논 · 4-BROMO-2,3-DIHYDRO-1H-INDEN-1-ONE · SKL642 · OZAN-001 · 4-bromoindanone · 4-bromo-1-indanon · 4-BROMO-1-INDANONE · 4-Bromo-1-Indenone

https://huagongshe.com/ko/chemical/98713

식별자 및 물리적 특성

CAS No.	15115-60-3
분자식	C9H7BrO
평균 분자량	211.05 g/mol
단동위원소 질량	209.96802694 g/mol
SMILES	O=C1CCc2c(Br)cccc21
InChIKey	UVVYFYLSZIMKMC-UHFFFAOYSA-N
PubChem CID	98713
ChEMBL	CHEMBL1671941
EC No.	628-019-5
DTXSID	DTXSID30164720
현지명	4-브로모-1-인다논

화학 및 물리적 성질

XLogP	2.4
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	178
녹는점	95-99 °C(lit.)
끓는 점	125°C/1.5mmHg(lit.)
밀도	1.608±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	결정성 분말
색상	오렌지 브라운
InChI	InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey	UVVYFYLSZIMKMC-UHFFFAOYSA-N
SMILES	C1(=O)C2=C(C(Br)=CC=C2)CC1

화학적 성질

Orange-brown crystalline powder

안전 및 규제

GHS 분류	WarningH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (90.9%)
수질 위해 등급(WGK)	2
RTECS 번호	NK7536100
관세 코드	29147000
위험 문구(R)	22
위험 표시	Xn
안전 문구(S)	22-60-36
위험 등급	Acute Tox. 4 Oral
저장 분류	11 - Combustible Solids

용도

일반 설명

4-Bromo-1-indanone is an organic synthetic or pharmaceutical intermediate compound that can be used to prepare the prescription drug Ozanimod. Ozanimod can be used to treat relapsing multiple sclerosis (MS), including clinical solitary syndrome, relapsing-remitting disease and active secondary progressive disease. This drug cannot cure multiple sclerosis, but it can slow down some disabling effects and reduce the frequency of disease recurrence. It can also be used to treat moderate to severe ulcerative colitis.