Introduction：Basic information about CAS 3125-77-7|Benzene,1,3-diisothiocyanato-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzene,1,3-diisothiocyanato- |
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| CAS Number | 3125-77-7 | Molecular Weight | 192.26100 |
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| Density | 1.2g/cm3 | Boiling Point | 358.8ºC at 760mmHg |
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| Molecular Formula | C8H4N2S2 | Melting Point | 56ºC (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 180.8ºC |
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| Symbol |
GHS07, GHS08 | Signal Word | Danger |
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Names
| Name | 1,3-diisothiocyanatobenzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2g/cm3 |
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| Boiling Point | 358.8ºC at 760mmHg |
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| Melting Point | 56ºC (dec.)(lit.) |
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| Molecular Formula | C8H4N2S2 |
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| Molecular Weight | 192.26100 |
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| Flash Point | 180.8ºC |
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| Exact Mass | 191.98200 |
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| PSA | 88.90000 |
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| LogP | 3.15520 |
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| Index of Refraction | 1.6000 (estimate) |
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| InChIKey | BOLANQNHTGVOMY-UHFFFAOYSA-N |
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| SMILES | S=C=Nc1cccc(N=C=S)c1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX9160000
- CHEMICAL NAME :
- Isothiocyanic acid, m-phenylene ester
- CAS REGISTRY NUMBER :
- 3125-77-7
- BEILSTEIN REFERENCE NO. :
- 2090352
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H4-N2-S2
- MOLECULAR WEIGHT :
- 192.26
- WISWESSER LINE NOTATION :
- SCNR CNCS
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#02764
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Safety Information
| Symbol |
GHS07, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H302-H315-H319-H334-H335 |
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| Precautionary Statements | P261-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: Harmful; |
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| Risk Phrases | 22-36/37/38-42 |
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| Safety Phrases | 22-26-36/37 |
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| RIDADR | UN3335 9 |
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| WGK Germany | 3 |
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| RTECS | NX9160000 |
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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
| WLN: SCNR CNCS |
| m-Phenylendisenfoel |
| 1.3-Diisothiocyanato-benzol |
| MFCD01716878 |
| 1,3-Phenylene diisothiocyanate |
| Benzene,1,3-diisothiocyanato |
| m-Phenylenediisothiocyanate |
| m-Phenylendiisothiocyanat |
| ISOTHIOCYANIC ACID,m-PHENYLENE ESTER |
