Introduction：Basic information about CAS 18967-42-5|3,4-DICHLOROBENZYL ISOTHIOCYANATE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4-DICHLOROBENZYL ISOTHIOCYANATE |
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| CAS Number | 18967-42-5 | Molecular Weight | 218.10300 |
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| Density | 1.38 | Boiling Point | 130ºC 1mm |
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| Molecular Formula | C8H5Cl2NS | Melting Point | 26-28ºC |
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| MSDS | / | Flash Point | 142.7ºC |
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Names
| Name | 1,2-dichloro-4-(isothiocyanatomethyl)benzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.38 |
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| Boiling Point | 130ºC 1mm |
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| Melting Point | 26-28ºC |
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| Molecular Formula | C8H5Cl2NS |
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| Molecular Weight | 218.10300 |
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| Flash Point | 142.7ºC |
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| Exact Mass | 216.95200 |
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| PSA | 44.45000 |
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| LogP | 3.59620 |
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| Vapour Pressure | 0.000978mmHg at 25°C |
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| Index of Refraction | 1.6295 |
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| InChIKey | DPSSHXWTNIGVMQ-UHFFFAOYSA-N |
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| SMILES | S=C=NCc1ccc(Cl)c(Cl)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8485000
- CHEMICAL NAME :
- Isothiocyanic acid, (3,4-dichlorobenzyl) ester
- CAS REGISTRY NUMBER :
- 18967-42-5
- BEILSTEIN REFERENCE NO. :
- 2937608
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H5-Cl2-N-S
- MOLECULAR WEIGHT :
- 218.10
- WISWESSER LINE NOTATION :
- SCN1R CG DG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 79 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#02807
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Safety Information
| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | UN 2811 |
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| Packaging Group | II |
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| Hazard Class | 6.1 |
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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
| 3,4-Dichlorobenzyl isothiocyanate |
| MFCD00041113 |
| 3,4-Dichlor-benzylisothiocyanat |
