Introduction:Basic information about CAS 19881-18-6|1-Isothiocyanato-4-(4-nitrophenoxy)benzene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Isothiocyanato-4-(4-nitrophenoxy)benzene |
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| CAS Number | 19881-18-6 | Molecular Weight | 272.27900 |
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| Density | 1.29 g/cm3 | Boiling Point | 414.2ºC at 760 mmHg |
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| Molecular Formula | C13H8N2O3S | Melting Point | 122ºC |
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| MSDS | ChineseUSA | Flash Point | 204.3ºC |
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Names
| Name | 4-Isothiocyanato-4'-nitrodiphenyl ether |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.29 g/cm3 |
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| Boiling Point | 414.2ºC at 760 mmHg |
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| Melting Point | 122ºC |
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| Molecular Formula | C13H8N2O3S |
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| Molecular Weight | 272.27900 |
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| Flash Point | 204.3ºC |
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| Exact Mass | 272.02600 |
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| PSA | 99.50000 |
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| LogP | 4.64460 |
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| Vapour Pressure | 1.09E-06mmHg at 25°C |
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| Index of Refraction | 1.63 |
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| InChIKey | SVMGVZLUIWGYPH-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1ccc(Oc2ccc(N=C=S)cc2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX9108000
- CHEMICAL NAME :
- Isothiocyanic acid, p-(p-nitrophenoxy)phenyl ester
- CAS REGISTRY NUMBER :
- 19881-18-6
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H8-N2-O3-S
- MOLECULAR WEIGHT :
- 272.29
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 nmol/plate
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 334,273,1995
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | 26-36/37/39 |
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| RIDADR | UN 2811 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 1-isothiocyanato-4-(4-nitrophenoxy)benzene |