Introduction：Basic information about CAS 14214-31-4|2-chloro-3-isothiocyanato-prop-1-ene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-chloro-3-isothiocyanato-prop-1-ene |
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| CAS Number | 14214-31-4 | Molecular Weight | 133.59900 |
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| Density | 1.12g/cm3 | Boiling Point | 182ºC at 760 mmHg |
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| Molecular Formula | C4H4ClNS | Melting Point | -56.5 °C |
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| MSDS | / | Flash Point | 63.9ºC |
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Names
| Name | 2-chloro-3-isothiocyanatoprop-1-ene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.12g/cm3 |
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| Boiling Point | 182ºC at 760 mmHg |
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| Melting Point | -56.5 °C |
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| Molecular Formula | C4H4ClNS |
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| Molecular Weight | 133.59900 |
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| Flash Point | 63.9ºC |
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| Exact Mass | 132.97500 |
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| PSA | 44.45000 |
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| LogP | 1.84170 |
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| Vapour Pressure | 1.13mmHg at 25°C |
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| Index of Refraction | 1.516 |
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| InChIKey | DGBFPSVUFUDQNA-UHFFFAOYSA-N |
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| SMILES | C=C(Cl)CN=C=S |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8455000
- CHEMICAL NAME :
- Isothiocyanic acid, 2-chloroallyl ester
- CAS REGISTRY NUMBER :
- 14214-31-4
- BEILSTEIN REFERENCE NO. :
- 1748580
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C4-H4-Cl-N-S
- MOLECULAR WEIGHT :
- 133.60
- WISWESSER LINE NOTATION :
- SCN1YGU1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 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#09496
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Safety Information
| Hazard Codes | T |
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| Risk Phrases | 25 |
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| Safety Phrases | 45 |
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| RIDADR | UN 2811 6.1 / PGIII |
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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
| 2-Chlor-allylisothiocyanat |
| 2-Chloro-3-isothiocyanato-1-propene |
| 2-Chloro-3-isothiocyanatopropene |
| 2-Chloro allyl isothiocyanate |
| ISOTHIOCYANIC ACID,2-CHLOROALLYL ESTER |
| 2-chloro-2-propenyl isothiocyanate |
