Introduction：Basic information about CAS 626-22-2|1,3-phenylenediacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-phenylenediacetonitrile |
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| CAS Number | 626-22-2 | Molecular Weight | 156.184 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 286.2±0.0 °C at 760 mmHg |
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| Molecular Formula | C10H8N2 | Melting Point | 32-35 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 162.2±16.2 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 1,3-Phenylenediacetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 286.2±0.0 °C at 760 mmHg |
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| Melting Point | 32-35 °C(lit.) |
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| Molecular Formula | C10H8N2 |
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| Molecular Weight | 156.184 |
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| Flash Point | 162.2±16.2 °C |
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| Exact Mass | 156.068741 |
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| PSA | 47.58000 |
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| LogP | 0.68 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.550 |
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| InChIKey | GRPFZJNUYXIVSL-UHFFFAOYSA-N |
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| SMILES | N#CCc1cccc(CC#N)c1 |
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| Water Solubility | insoluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM1780000
- CHEMICAL NAME :
- Acetonitrile, m-phenylenedi-
- CAS REGISTRY NUMBER :
- 626-22-2
- BEILSTEIN REFERENCE NO. :
- 3240670
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H8-N2
- MOLECULAR WEIGHT :
- 156.20
- WISWESSER LINE NOTATION :
- NC1R 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 :
- 32 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#00743
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
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| Precautionary Statements | P261-P280-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 | R20/21/22 |
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| Safety Phrases | S26-S37/39-S24/25 |
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| RIDADR | 3439 |
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| WGK Germany | 3 |
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| RTECS | AM1780000 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 29269095 |
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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
| 1,3-Benzenediacetonitrile (9CI) |
| EINECS 210-936-3 |
| MFCD00001915 |
| 1,3-phenylenediacetonitrile |
| 1,3-Benzenediacetonitrile |
| 2,2'-(1,3-Phenylene)diacetonitrile |
| 2-[3-(cyanomethyl)phenyl]acetonitrile |
| 2,2'-Benzol-1,3-diyldiacetonitril |
| 2,2'-Benzene-1,3-diyldiacetonitrile |
