6-메톡시-1-인단온

6-메톡시-1-인단온 · 6-Methoxy-2,3-dihydro-1H-inden-1-one · 6-METHOXY-1-INDANONE · NSC 338231 · 6-methoxy-1H-one · 6-METHOXY INDANONE · 6-Methoxy-1-indenone · 6-Methoxy-I-indanone

https://huagongshe.com/ko/chemical/334036

식별자 및 물리적 특성

CAS No.	13623-25-1
분자식	C10H10O2
평균 분자량	162.18 g/mol
단동위원소 질량	162.06807956 g/mol
SMILES	COc1ccc2c(c1)C(=O)CC2
InChIKey	UJGDLLGKMWVCPT-UHFFFAOYSA-N
PubChem CID	334036
EC No.	603-948-9
DTXSID	DTXSID60318971
현지명	6-메톡시-1-인단온

화학 및 물리적 성질

XLogP	1.6
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	188
녹는점	105-109 °C (lit.)
끓는 점	228.88°C (rough estimate)
밀도	1.0281 (rough estimate)
굴절률	1.6000 (estimate)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	미세 결정성 분말
색상	흰색에서 노란색으로
BRN	1238602
InChI	InChI=1S/C10H10O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3
InChIKey	UJGDLLGKMWVCPT-UHFFFAOYSA-N
SMILES	C1(=O)C2=C(C=CC(OC)=C2)CC1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (25%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (25%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.There are 3 notifications provided by 3 of 4 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%)Aquatic Acute 1 (25%)Aquatic Chronic 1 (25%)
수질 위해 등급(WGK)	3
관세 코드	29145090
위험 문구(R)	20/21/22-36/37/38

용도

Indanone derivative as a1-adrenoceptor antagonist.