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57213-48-6

57213-48-6 structure
57213-48-6 structure

Name (S)-2-Amino-3-(3-cyanophenyl)propanoic acid
Synonyms (S)-2-Am​ino-3-(3-​cyanophen​yl)propionic acid
3-Cyanophenylalanine
L-phenylalanine, 3-cyano-
L-3-Cyanophenylalanine
(2S)-2-Am​ino-3-(3-​cyanophen​yl)propionic acid
H-Phe(3-CN)-OH
Phenylalanine, 3-cyano-
(2S)-2-amino-3-(3-cyanophenyl)propanoic acid
3-Cyano-D-phenylalanine
MFCD01860885
QVYZ1R CCN &&L or S Form
H-D-Leu-Phe-OH
Description H-Phe(3-CN)-OH is a phenylalanine derivative[1].
Related Catalog
In Vitro Amino acids and amino acid derivatives have been commercially used as ergogenic supplements. They influence the secretion of anabolic hormones, supply of fuel during exercise, mental performance during stress related tasks and prevent exercise induced muscle damage. They are recognized to be beneficial as ergogenic dietary substances[1].
References

[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-828.

Density 1.3±0.1 g/cm3
Boiling Point 382.5±32.0 °C at 760 mmHg
Molecular Formula C10H10N2O2
Molecular Weight 190.199
Flash Point 185.1±25.1 °C
Exact Mass 190.074234
PSA 87.11000
LogP 0.55
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.596
Storage condition Store at 0°C
Name: (S)-N-3-Cyanophenylalanine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym: None Known.
CAS: 57213-48-6
Section 1 - Chemical Product MSDS Name: (S)-N-3-Cyanophenylalanine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym: None Known.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
57213-48-6 (S)-N-3-Cyanophenylalanine 95% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin. Absorption into the body may cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
Chronic exposure to cyanide solutions may lead to the development of a "cyanide" rash, characterized by itching, and by macular, papular, and vesicular eruptions, and may be accompanied by secondary infections. Exposure to small amounts of cyanide compounds over long periods of time is reported to cause loss of appetite, headache, weakness, nausea, dizziness, and symptoms of irritation of the upper respiratory tract and eyes.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:


SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 57213-48-6: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Powder
Color: white to light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H10N2O2
Molecular Weight: 190.2
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 57213-48-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-N-3-Cyanophenylalanine - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 57213-48-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 57213-48-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 57213-48-6 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/16/2002 Revision #1 Date: 9/05/2002 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S26-S37/39
RIDADR UN3439
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

~33%

57213-48-6 structure

57213-48-6

Literature: WILEX AG Patent: WO2004/103984 A1, 2004 ; Location in patent: Page/Page column 12 ; WO 2004/103984 A1

~%

57213-48-6 structure

57213-48-6

Literature: WO2006/42678 A1, ; Page/Page column 11-12 ;
Precursor  1

DownStream  1

HS Code 2926909090
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%