2-메톡시페노티아진

2-메톡시페노티아진 · 2-Methoxy-10H-phenothiazine · NSC 72107 · 2-METHOXYPHENOTHIAZ · MethoxyPhenoThiazine · 2-MethoxyPhenthiazine · 2-METHOXYPHENOTHIAZINE · Phenothiazine, 2-methoxy-

https://huagongshe.com/ko/chemical/74490

식별자 및 물리적 특성

CAS No.	1771-18-2
분자식	C13H11NOS
평균 분자량	229.3 g/mol
단동위원소 질량	229.05613515 g/mol
SMILES	COc1ccc2c(c1)Nc1ccccc1S2
InChIKey	DLYKFPHPBCTAKD-UHFFFAOYSA-N
PubChem CID	74490
ChEMBL	CHEMBL64404
ChEBI	CHEBI:125620
EC No.	217-195-5
DTXSID	DTXSID70170249
현지명	2-메톡시페노티아진

화학 및 물리적 성질

XLogP	4.1
극성 표면적	46.6
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	16
형식 전하	0
복잡도	248
녹는점	185-188°C
끓는 점	408.1±34.0 °C(Predicted)
밀도	1.235±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	DMSO, 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	-1.32±0.20(Predicted)
색상	옅은 회색에서 옅은 갈색까지
InChI	InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChIKey	DLYKFPHPBCTAKD-UHFFFAOYSA-N
SMILES	C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1OC
NIST	2-Methoxyphenothiazine(1771-18-2)

화학적 성질

Yellow or pale gray solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 60% (9 of 15) of all reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]H411 (13.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 9 of 15 reports by companies.There are 6 notifications provided by 6 of 15 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.
규제 정보	Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18877
Hazard Classes and Categories	Acute Tox. 4 (33.3%)Skin Sens. 1 (20%)Aquatic Chronic 2 (13.3%)
관세 코드	2934309090
위험 문구(R)	36/37/38
안전 문구(S)	26-36/37/39

용도

An Impurity of Methotrimeprazine (M260785). A derivative of Phenothiazine (P318040) exhibits tuberculostatic activity.