2-메톡시페노티아진

Methyl phenothiazin-2-yl ether

HCID 74490CAS 1771-18-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2c(c1)Nc1ccccc1S2
InChIKey: DLYKFPHPBCTAKD-UHFFFAOYSA-N
분자식: C13H11NOS
평균 분자량: 229.3 g/mol
단동위원소 질량: 229.05613515

이름 및 식별자

우선 이름: Methyl phenothiazin-2-yl ether
IUPAC: 2-methoxy-10H-phenothiazine
현지명: 2-메톡시페노티아진
영어명: 2-Methoxyphenothiazine
분자식: C13H11NOS
분자량: 229.3

이름 및 동의어

2-Methoxyphenothiazine2-Methoxy-10H-phenothiazineMethyl phenothiazin-2-yl etherNSC 72107EINECS 217-195-5DTXSID70170249RefChem:157996DTXCID0092740217-195-5DLYKFPHPBCTAKD-UHFFFAOYSA-N1771-18-210H-Phenothiazine, 2-methoxy-

이름 더 보기

2-메톡시페노티아진2-METHOXYPHENOTHIAZMethoxyPhenoThiazine2-MethoxyPhenthiazine2-Methoxyphenothiazine>Levomepromazine Impurity 12-METHOXYPHENOTHIAZINE 95+%

Phenothiazine, 2-methoxy-MFCD00037838C13H11NOS2-Methoxy PhenothiazineCHEMBL64404Levomepromazine Maleate Imp. A (EP); Levomepromazine Imp. A (EP); 2-Methoxyphenothiazine; Levomepromazine Maleate Impurity A; Levomepromazine Impurity ANSC721072methoxy-phenothiazine

데이터베이스 식별자

CAS: 1771-18-2
PubChem CID: 74490
DTXSID: DTXSID70170249
ChEMBL: CHEMBL64404
ChEBI: CHEBI:125620
EC Number: 217-195-5
Nikkaji: J25.658G

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 185 · 185-188°C
끓는 점: 408.1 · 408.1±34.0 °C(Predicted)
밀도: 1.235 · 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
산도 계수 (pKa): -1.32 · -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 · 2-Methoxyphenothiazine(1771-18-2)

화학적 성질

Yellow or pale gray solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 60% (9 of 15) of all reports.

Warning

H302 (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.