Introduction：Basic information about CAS 1439-36-7|(Acetylmethylene)triphenylphosphorane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (Acetylmethylene)triphenylphosphorane |
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| CAS Number | 1439-36-7 | Molecular Weight | 318.349 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 478.5±28.0 °C at 760 mmHg |
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| Molecular Formula | C21H19OP | Melting Point | 203-205 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 243.2±24.0 °C |
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Names
| Name | (acetylmethylene)triphenylphosphorane |
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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 | 478.5±28.0 °C at 760 mmHg |
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| Melting Point | 203-205 °C(lit.) |
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| Molecular Formula | C21H19OP |
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| Molecular Weight | 318.349 |
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| Flash Point | 243.2±24.0 °C |
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| Exact Mass | 318.117340 |
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| PSA | 26.88000 |
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| LogP | 3.22 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.611 |
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| InChIKey | KAANTNXREIRLCT-UHFFFAOYSA-N |
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| SMILES | CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
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| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UC3900000
- CHEMICAL NAME :
- 2-Propanone, triphenylphosphoranylidene-
- CAS REGISTRY NUMBER :
- 1439-36-7
- BEILSTEIN REFERENCE NO. :
- 0750077
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C21-H19-O-P
- MOLECULAR WEIGHT :
- 318.37
- WISWESSER LINE NOTATION :
- 1V1UPR&R&R
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#01327 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 520 mg/kg/30D-I
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from stomach Blood - normocytic anemia Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1560 mg/kg/26W-I
- TOXIC EFFECTS :
- Blood - changes in cell count (unspecified) Blood - changes in spleen Biochemical - Metabolism (Intermediary) - other proteins
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Risk Phrases | R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | UC3900000 |
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Articles2
More Articles
| Cyclobutanones through SNi' ring closure, a mechanistic study. J. Org. Chem. 72 , 2427, (2007) Mechanistic studies on the intramolecular nucleophilic substitution with allylic rearrangement (SNi' reaction) and a new stereoselective access to substituted cyclobutanones are reported. 4,4-Dialkyl-... | |
Synthesis , 1359, (2007)
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Synonyms
| 2-Propanone, 1-(triphenylphosphoranylidene)- |
| EINECS 215-878-2 |
| 1-(Triphenylphosphoranylidene)-2-propanone |
| 1-Triphenylphosphoranylidene-2-propanone |
| 1-(triphenyl-λ<sup>5</sup>-phosphanylidene)propan-2-one |
| (Acetylmethylene)triphenylphosphorane |
| (Triphenylphosphoranylidene)-2-propanone |
| 1-(Triphenylphosphoranylidene)propan-2-one |
| 2-Propanone, 1- (triphenylphosphoranylidene)- |
| 1-(Triphenylphosphoranylidene)acetone |
| MFCD00008774 |
| 1-Triphenylphosphanylidene-propan-2-one |
