Introduction：Basic information about CAS 4891-66-1|Toluene-2,4-dithioisocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Toluene-2,4-dithioisocyanate |
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| CAS Number | 4891-66-1 | Molecular Weight | 206.28700 |
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| Density | 1.17g/cm3 | Boiling Point | 375.1ºC at 760 mmHg |
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| Molecular Formula | C9H6N2S2 | Melting Point | 54-57ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 192.2ºC |
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| Symbol |
GHS07, GHS08 | Signal Word | Danger |
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Names
| Name | toluene 2,4-diisothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.17g/cm3 |
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| Boiling Point | 375.1ºC at 760 mmHg |
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| Melting Point | 54-57ºC(lit.) |
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| Molecular Formula | C9H6N2S2 |
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| Molecular Weight | 206.28700 |
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| Flash Point | 192.2ºC |
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| Exact Mass | 205.99700 |
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| PSA | 88.90000 |
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| LogP | 3.46360 |
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| Index of Refraction | 1.627 |
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| InChIKey | NNMVCFPMIBOZCL-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(N=C=S)cc1N=C=S |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8930000
- CHEMICAL NAME :
- Isothiocyanic acid, 4-methyl-m-phenylene ester
- CAS REGISTRY NUMBER :
- 4891-66-1
- BEILSTEIN REFERENCE NO. :
- 2415812
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H6-N2-S2
- MOLECULAR WEIGHT :
- 206.29
- WISWESSER LINE NOTATION :
- SCNR B1 ENCS
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#08183
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Safety Information
| Symbol |
GHS07, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H302-H312-H315-H319-H332-H334-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338-P342 + P311 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
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| Hazard Codes | Xn |
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| Risk Phrases | 20/21/22-36/37/38-42 |
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| Safety Phrases | 26-36 |
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| RIDADR | NONH for all modes of transport |
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| RTECS | NX8930000 |
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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
| 2,4-Toluene diisothiocyanate |
| 2,4-Tolylene diisothiocyanate |
| Isothiocyanic acid,2,4-tolylene diester |
| 1,3-Bis-isothiocyanato-4-methyl-benzol |
| Toluene-2,4-dithioisocyanate |
| Tolylene-2,4-diisothiocyanate |
| 4-methyl-m-phenylene diisothiocyanate |
| 2,4-diisothiocyanato-1-methylbenzene |
| 1-methylbenzene-2,4-diisothiocyanate |
| ISOTHIOCYANIC ACID,4-METHYL-m-PHENYLENE ESTER |
| MFCD00046797 |
| 4-Methyl-m-phenylendiisothiocyanat |
