Introduction：Basic information about CAS 31643-49-9|4-Nitrophthalonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Nitrophthalonitrile |
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| CAS Number | 31643-49-9 | Molecular Weight | 173.13 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 389.9±37.0 °C at 760 mmHg |
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| Molecular Formula | C8H3N3O2 | Melting Point | 142-144 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 189.6±26.5 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 4-nitrobenzene-1,2-dicarbonitrile |
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| Synonym | More Synonyms |
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4-Nitrophthalonitrile BiologicalActivity
| Description | 4-Nitrophthalonitrile is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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| Related Catalog | Research Areas >>Others |
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| In Vitro | 用作医药中间体。苯甲酰噻吩是 A1 腺苷受体激动剂活性的变构增强剂 (AE)。 |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 389.9±37.0 °C at 760 mmHg |
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| Melting Point | 142-144 °C(lit.) |
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| Molecular Formula | C8H3N3O2 |
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| Molecular Weight | 173.13 |
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| Flash Point | 189.6±26.5 °C |
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| Exact Mass | 173.022522 |
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| PSA | 93.40000 |
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| LogP | 0.39 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.602 |
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| InChIKey | NTZMSBAAHBICLE-UHFFFAOYSA-N |
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| SMILES | N#Cc1ccc([N+](=O)[O-])cc1C#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TI8576000
- CHEMICAL NAME :
- Phthalonitrile, 4-nitro-
- CAS REGISTRY NUMBER :
- 31643-49-9
- LAST UPDATED :
- 199703
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C8-H3-N3-O2
- MOLECULAR WEIGHT :
- 173.14
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 850 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(9),92,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(9),92,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2550 mg/kg/30D-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), diffuse Kidney, Ureter, Bladder - proteinuria Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(9),92,1987
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302-H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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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 | R22 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | TI8576000 |
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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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Synonyms
| p-nitrophthalonitrile |
| 4-Nitrophthalonitrile |
| 3,4-Dicyanonitrobenzene |
| 5-Nitro-1,2-benzenedicarbonitrile |
| Phthalonitrile,4-nitro |
| 5-Nitrobenzene-1,2-dicarbonitrile |
| 1,2-Dicyano-4-nitrobenzene |
| 4-nitrophthalodinitrile |
| 4-Nitro-1,2-benzenedicarbonitrile |
| 1,2-Benzenedicarbonitrile, 4-nitro- |
| 4-nitro-1,2-dicyanobenzene |
| 4-nitro-phthalonitrile |
| 4-nitrophthalic acid dinitrile |
| EINECS 250-748-9 |
| 1,2-Benzenedicarbonitrile,4-nitro |
| MFCD00040301 |
