Introduction：Basic information about CAS 104146-10-3|GCLE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | GCLE |
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| CAS Number | 104146-10-3 | Molecular Weight | 486.968 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 756.6±60.0 °C at 760 mmHg |
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| Molecular Formula | C24H23ClN2O5S | Melting Point | 153-155°C |
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| MSDS | / | Flash Point | 411.4±32.9 °C |
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Names
| Name | 4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 756.6±60.0 °C at 760 mmHg |
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| Melting Point | 153-155°C |
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| Molecular Formula | C24H23ClN2O5S |
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| Molecular Weight | 486.968 |
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| Flash Point | 411.4±32.9 °C |
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| Exact Mass | 486.101624 |
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| PSA | 110.24000 |
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| LogP | 1.89 |
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| Vapour Pressure | 0.0±2.5 mmHg at 25°C |
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| Index of Refraction | 1.658 |
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| InChIKey | KFCMZNUGNLCSJQ-NFBKMPQASA-N |
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| SMILES | COc1ccc(COC(=O)C2=C(CCl)CSC3C(NC(=O)Cc4ccccc4)C(=O)N23)cc1 |
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| Storage condition | -20?C Freezer, Under Inert Atmosphere |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XI0369883
- CHEMICAL NAME :
- 5-Thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo- 7-((phenylacetyl)amino)-, (4-methoxyphenyl)methyl ester, (6R-trans)-
- CAS REGISTRY NUMBER :
- 104146-10-3
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C24-H23-Cl-N2-O5-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S94,1996
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S94,1996
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R22:Harmful if swallowed. R41:Risk of serious damage to eyes. R43:May cause sensitization by skin contact. |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | XZ4380000 |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3-(Chloromethyl)-7-phenylacetylamino cephalosporanic acid p-methoxybenzyl ester |
| 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester |
| 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-, (4-methoxyphenyl)methyl ester, (6R,7R)- |
| GCLE |
| 4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate |
| EINECS 403-040-0 |
| MFCD00191253 |
| 4-Methoxybenzyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| T46 AN ES GUTJ CMV1R& EO G1G HVO1R DO1 &&(6R,7R)- Form |
