Introduction：Basic information about CAS 3529-82-6|3-nitrophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-nitrophenyl isothiocyanate |
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| CAS Number | 3529-82-6 | Molecular Weight | 180.18400 |
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| Density | 1.33g/cm3 | Boiling Point | 317.8ºC at 760mmHg |
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| Molecular Formula | C7H4N2O2S | Melting Point | 57-60 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 146ºC |
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| Symbol |
GHS05 | Signal Word | Danger |
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Names
| Name | 1-isothiocyanato-3-nitrobenzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.33g/cm3 |
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| Boiling Point | 317.8ºC at 760mmHg |
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| Melting Point | 57-60 °C(lit.) |
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| Molecular Formula | C7H4N2O2S |
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| Molecular Weight | 180.18400 |
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| Flash Point | 146ºC |
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| Exact Mass | 179.99900 |
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| PSA | 90.27000 |
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| LogP | 2.85230 |
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| Index of Refraction | 1.631 |
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| InChIKey | OEZXLKSZOAWNJU-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1cccc(N=C=S)c1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX9110000
- CHEMICAL NAME :
- Isothiocyanic acid, m-nitrophenyl ester
- CAS REGISTRY NUMBER :
- 3529-82-6
- BEILSTEIN REFERENCE NO. :
- 2094061
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H4-N2-O2-S
- MOLECULAR WEIGHT :
- 180.19
- WISWESSER LINE NOTATION :
- WNR 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 :
- 75 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#07672
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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 | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
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| Hazard Codes | C: Corrosive; |
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| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S23-S26-S36/37/39-S45 |
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| RIDADR | UN 3261 8/PG 3 |
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| WGK Germany | 3 |
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| RTECS | NX9110000 |
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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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Articles5
More Articles
| Yaws CL. Thermophysical Properties of Chemicals and Hydrocarbons , (2014), 536
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| Yaws CL. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals 2nd ed.,, (2015), 138
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| Synthesis and antimicrobial activity of novel naphtho[2,1-b]furo-5H-[3,2-d][1,3,4] thiadiazolo[3,2-a]pyrimidin-5-ones. Ravindra KC, et al. ARKIVOC 11(1) , (2008)
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Synonyms
| m-Nitrophenyl isothiocyanate |
| 3-Nitrophenyl isothiocyanate |
| ISOTHIOCYANIC ACID,m-NITROPHENYL ESTER |
| 1-isothiocyanato-3-nitro-benzene |
| Benzene,1-isothiocyanato-3-nitro |
| 1-nitryl-3-isothiocyanatobenzene |
| MFCD00041245 |
