Introduction：Basic information about CAS 949-99-5|4-Nitro-3-phenyl-L-alanine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Nitro-3-phenyl-L-alanine |
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| CAS Number | 949-99-5 | Molecular Weight | 210.187 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 414.1±35.0 °C at 760 mmHg |
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| Molecular Formula | C9H10N2O4 | Melting Point | 222-223ºC |
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| MSDS | / | Flash Point | 204.2±25.9 °C |
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Names
| Name | (2S)-2-amino-3-(4-nitrophenyl)propanoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 414.1±35.0 °C at 760 mmHg |
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| Melting Point | 222-223ºC |
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| Molecular Formula | C9H10N2O4 |
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| Molecular Weight | 210.187 |
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| Flash Point | 204.2±25.9 °C |
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| Exact Mass | 210.064056 |
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| PSA | 109.14000 |
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| LogP | 0.84 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.614 |
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| InChIKey | GTVVZTAFGPQSPC-QMMMGPOBSA-N |
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| SMILES | NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O |
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| Storage condition | Store at RT. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AY7400000
- CHEMICAL NAME :
- Alanine, 3-(p-nitrophenyl)-, L-
- CAS REGISTRY NUMBER :
- 949-99-5
- BEILSTEIN REFERENCE NO. :
- 2809673
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H10-N2-O4
- MOLECULAR WEIGHT :
- 210.21
- WISWESSER LINE NOTATION :
- WNR D1YZVQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 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#03822
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S22-S26-S36/37/39 |
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| RIDADR | UN 2811 |
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| RTECS | AY7400000 |
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| HS Code | 2922499990 |
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Customs
| HS Code | 2922499990 |
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| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| 4-nitro-DL-phenylalanine |
| L-4-Nitrophe |
| L-4-Nitrophenylalanine |
| L-Phenylalanine,4-nitro |
| 4-Nitrophenylalanine |
| L-Phenylalanine, 4-nitro- (9CI) |
| p-Nitrophenylalanine |
| L-Phenylalanine, 4-nitro- |
| Nitrophenylalanine |
| Phenylalanine,4-nitro |
| 4-14-00-01677 (Beilstein Handbook Reference) |
| DL-phenylalanine, 4-nitro- |
| L-p-Nitrophenylalanine |
| p-Nitro-L-phenylalanine |
| L-Phe(4-NO2)-OH |
| Alanine, 3-(p-nitrophenyl)-, L- |
| 3-(4-Nitrophenyl)-L-alanine |
| 4-Nitro-3-phenyl-L-alanine |
| MFCD00051221 |
| dl-p-Nitrophenylalanine |
| Phenylalanine, 4-nitro- |
| p-Nitrophenylalanine, DL- |
| EINECS 213-446-8 |
| (2S)-2-amino-3-(4-nitrophenyl)propanoic acid |
