6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one 6-氯-2-甲基-2H-1,4-苯并恶嗪-3(4H)-酮
CAS 5791-00-4 MFCD01744501
化学结构图
SMILES: CC1Oc2ccc(Cl)cc2NC1=O
化学属性
| Mol. Formula | C9H8ClNO2 |
|---|---|
| Mol. Weight | 197.62 |
| Melting Point | 172.0-176.0 °C |
| Boiling Point | 356.9±42.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
|---|---|
| Chemical Name Translation | 6-氯-2-甲基-2H-1,4-苯并恶嗪-3(4H)-酮 |
| InChIKey | MGOCBXKZDZRPMK-UHFFFAOYSA-N |
| Wiswesser Line Notation | T66 BMV EO DHJ D1 IG |
| Synonym | 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2-methyl- |
| CAS Number | 5791-00-4 |
| Reaxys-RN | 1213243 |
| MDL Number | MFCD01744501 |
| PubChem Substance ID | 22035 |
| LabNetwork Molecule ID | LN01889610 |
| InChI | InChI=1S/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12) |
| Canonical SMILES | CC1C(NC2=C(O1)C=CC(Cl)=C2)=O |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 850 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,37,1975
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- H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
GHS Symbol
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