Introduction：Basic information about CAS 6590-94-9|Benzene,1,2-dichloro-4-isothiocyanato-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzene,1,2-dichloro-4-isothiocyanato- |
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| CAS Number | 6590-94-9 | Molecular Weight | 204.07600 |
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| Density | 1.422 g/mL at 25 °C(lit.) | Boiling Point | 134-136 °C7 mm Hg(lit.) |
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| Molecular Formula | C7H3Cl2NS | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | >230 °F |
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| Symbol |
GHS05 | Signal Word | Danger |
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Names
| Name | 3,4-dichlorophenyl isothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.422 g/mL at 25 °C(lit.) |
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| Boiling Point | 134-136 °C7 mm Hg(lit.) |
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| Molecular Formula | C7H3Cl2NS |
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| Molecular Weight | 204.07600 |
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| Flash Point | >230 °F |
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| Exact Mass | 202.93600 |
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| PSA | 44.45000 |
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| LogP | 3.72770 |
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| Index of Refraction | n20/D 1.68(lit.) |
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| InChIKey | OSBIEFWIIINTNJ-UHFFFAOYSA-N |
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| SMILES | S=C=Nc1ccc(Cl)c(Cl)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8490000
- CHEMICAL NAME :
- Isothiocyanic acid, 3,4-dichlorophenyl ester
- CAS REGISTRY NUMBER :
- 6590-94-9
- BEILSTEIN REFERENCE NO. :
- 0511101
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H3-Cl2-N-S
- MOLECULAR WEIGHT :
- 204.07
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 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: 19,558,1969
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 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: 21,121,1971
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Safety Information
| Symbol |
GHS05 |
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| Signal Word | Danger |
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| Hazard Statements | H314 |
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| Precautionary Statements | P280-P305 + P351 + P338-P310 |
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| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | C: Corrosive; |
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| Risk Phrases | R20/21/22;R34 |
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| Safety Phrases | S23-S26-S27-S36/37/39-S45 |
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| RIDADR | UN 3265 8/PG 3 |
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| WGK Germany | 3 |
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| RTECS | NX8490000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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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 229-526-0 |
| 1,2-dichloro-4-isothiocyanatobenzene |
| MFCD00037828 |
