Introduction：Basic information about CAS 1594-56-5|2,4-dinitrophenyl thiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,4-dinitrophenyl thiocyanate |
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| CAS Number | 1594-56-5 | Molecular Weight | 225.18100 |
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| Density | 1.62g/cm3 | Boiling Point | 368.4ºC at 760 mmHg |
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| Molecular Formula | C7H3N3O4S | Melting Point | 138-140°C |
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| MSDS | / | Flash Point | / |
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Names
| Name | 2,4-dinitro-1-thiocyanatobenzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.62g/cm3 |
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| Boiling Point | 368.4ºC at 760 mmHg |
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| Melting Point | 138-140°C |
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| Molecular Formula | C7H3N3O4S |
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| Molecular Weight | 225.18100 |
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| Exact Mass | 224.98400 |
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| PSA | 140.73000 |
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| LogP | 3.12258 |
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| Vapour Pressure | 1.28E-05mmHg at 25°C |
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| Index of Refraction | 1.666 |
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| InChIKey | XQDQRCRASHAZBA-UHFFFAOYSA-N |
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| SMILES | N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XK9450000
- CHEMICAL NAME :
- Thiocyanic acid, 2,4-dinitrophenyl ester
- CAS REGISTRY NUMBER :
- 1594-56-5
- BEILSTEIN REFERENCE NO. :
- 1983292
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C7-H3-N3-O4-S
- MOLECULAR WEIGHT :
- 225.19
- WISWESSER LINE NOTATION :
- WNR CNW DSCN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 51 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 1650 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 78,177,1980 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-HUNGARY:TWA 2 mg/m3;STEL 10 mg/m3 JAN 1993
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Safety Information
| Risk Phrases | R32;R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | XK9450000 |
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| Packaging Group | III |
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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
| EINECS 216-477-5 |
| MFCD00047702 |
| (2,4-dinitrophenyl) thiocyanate |
| 2,4-Dinitrophenyl Thiocyanate |
| 2,4-Dinitrophenylrhodanide |
| Thiocyanic Acid 2,4-Dinitrophenyl Ester |
