Introduction:Basic information about CAS 13287-49-5|4-nitrobenzyl thiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-nitrobenzyl thiocyanate |
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| CAS Number | 13287-49-5 | Molecular Weight | 194.21000 |
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| Density | 1.373g/cm3 | Boiling Point | 367.9ºC at 760mmHg |
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| Molecular Formula | C8H6N2O2S | Melting Point | 83-85ºC |
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| MSDS | / | Flash Point | 176.3ºC |
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Names
| Name | (4-nitrophenyl)methyl thiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.373g/cm3 |
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| Boiling Point | 367.9ºC at 760mmHg |
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| Melting Point | 83-85ºC |
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| Molecular Formula | C8H6N2O2S |
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| Molecular Weight | 194.21000 |
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| Flash Point | 176.3ºC |
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| Exact Mass | 194.01500 |
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| PSA | 94.91000 |
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| LogP | 2.83228 |
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| Vapour Pressure | 1.33E-05mmHg at 25°C |
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| Index of Refraction | 1.628 |
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| InChIKey | NUMYTLIHYKESKM-UHFFFAOYSA-N |
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| SMILES | N#CSCc1ccc([N+](=O)[O-])cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XL1615000
- CHEMICAL NAME :
- Thiocyanic acid, (p-nitrobenzyl) ester
- CAS REGISTRY NUMBER :
- 13287-49-5
- LAST UPDATED :
- 198706
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H6-N2-O2-S
- MOLECULAR WEIGHT :
- 194.22
- WISWESSER LINE NOTATION :
- WNR D1SCN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 19 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04706
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Safety Information
| Risk Phrases | R20/22;R32 |
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| Safety Phrases | S22-S36/37 |
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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
| EINECS 236-299-1 |
| 4-Nitrobenzyl thiocyanate |
| p-Nitrobenzylthiocyanate |
| Thiocyanic acid,4-nitrobenzyl ester |
| MFCD00024784 |
| 4-Nitro-benzylthiocyanat |
| p-NO2-PhCH2SCN |