Introduction：Basic information about CAS 1601-18-9|methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate |
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| CAS Number | 1601-18-9 | Molecular Weight | 371.81400 |
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| Density | 1.32g/cm3 | Boiling Point | 499.4ºC at 760mmHg |
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| Molecular Formula | C20H18ClNO4 | Melting Point | / |
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| MSDS | / | Flash Point | 255.8ºC |
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Names
| Name | methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.32g/cm3 |
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| Boiling Point | 499.4ºC at 760mmHg |
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| Molecular Formula | C20H18ClNO4 |
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| Molecular Weight | 371.81400 |
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| Flash Point | 255.8ºC |
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| Exact Mass | 371.09200 |
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| PSA | 57.53000 |
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| LogP | 4.01570 |
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| Vapour Pressure | 9.13E-09mmHg at 25°C |
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| Index of Refraction | 1.592 |
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| InChIKey | OKHORWCUMZIORR-UHFFFAOYSA-N |
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| SMILES | COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL3522150
- CHEMICAL NAME :
- Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
- CAS REGISTRY NUMBER :
- 1601-18-9
- BEILSTEIN REFERENCE NO. :
- 0496619
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C20-H18-Cl-N-O4
- MOLECULAR WEIGHT :
- 371.84
- WISWESSER LINE NOTATION :
- T56 BNJ BVR DG& C1 D1VO1 GO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 114,309,1975
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Indomethacin derivative,5 |
| EINECS 216-494-8 |
| indomethacin methyl ester |
