Introduction：Basic information about CAS 621-50-1|(3-Nitrophenyl)acetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3-Nitrophenyl)acetonitrile |
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| CAS Number | 621-50-1 | Molecular Weight | 162.145 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 332.6±17.0 °C at 760 mmHg |
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| Molecular Formula | C8H6N2O2 | Melting Point | 60-62 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 155.0±20.9 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 3-Nitrophenylacetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 332.6±17.0 °C at 760 mmHg |
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| Melting Point | 60-62 °C(lit.) |
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| Molecular Formula | C8H6N2O2 |
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| Molecular Weight | 162.145 |
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| Flash Point | 155.0±20.9 °C |
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| Exact Mass | 162.042923 |
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| PSA | 69.61000 |
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| LogP | 1.18 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.577 |
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| InChIKey | WAVKEPUFQMUGBP-UHFFFAOYSA-N |
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| SMILES | N#CCc1cccc([N+](=O)[O-])c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM1247000
- CHEMICAL NAME :
- Acetonitrile, (m-nitrophenyl)-
- CAS REGISTRY NUMBER :
- 621-50-1
- BEILSTEIN REFERENCE NO. :
- 1867862
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H6-N2-O2
- MOLECULAR WEIGHT :
- 162.16
- WISWESSER LINE NOTATION :
- WNR C1CN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 45 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#12481
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302-H312-H332 |
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| Precautionary Statements | P280 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | AM1247000 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Articles1
More Articles
| Carbon-carbon bond cleavage and esterification of phenylacetonitrile and its derivatives affording the corresponding benzoic esters.Wang Z, et al. J. Chem. Res. (M) 2007(6) , 323-24, (2007)
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Synonyms
| EINECS 210-689-1 |
| (3-Nitrophenyl)acetonitrile |
| 2-(3-nitrophenyl)acetonitrile |
| Benzeneacetonitrile, 3-nitro- |
| MFCD00041249 |
