15960-05-1

15960-05-1结构式

常用中文名：(S)-2-氨基-4,4,4-三氟丁酸
常用英文名：(S)-2-Amino-4,4,4-trifluorobutanoic acid
CAS号：15960-05-1
分子式：C₄H₆F₃NO₂
分子量：157.09100
发布时间：2018-08-26 00:03:12
更新时间：2024-01-10 00:04:50

中文名	2-氨基-4,4,4-三氟丁酸
英文名	2-amino-4,4,4-trifluorobutyric acid
英文别名	2-Amino-4,4,4-trifluorobutyric acid S-Propyl-L-homocysteine L-Propionine MFCD00041417 S-Propyl-L-homocystein 2-Amino-4,4,4-trifluor-L-buttersaeure Propionine L-Homocysteine,S-propyl

密度	1.432g/cm3
沸点	185.2ºC at 760mmHg
熔点	260-265ºC
分子式	C₄H₆F₃NO₂
分子量	157.09100
闪点	65.8ºC
精确质量	157.03500
PSA	63.32000
LogP	1.05100
蒸汽压	0.321mmHg at 25°C
折射率	1.391
储存条件	室温，避光，惰性气体
分子结构	五、分子性质数据： 1、摩尔折射率：26.09 2、摩尔体积（m³/mol）：109.6 3、等张比容（90.2K）：263.1 4、表面张力（dyne/cm）：33.1 5、极化率（10^-24cm³）：10.34
计算化学	1、疏水参数计算参考值（XlogP）:-1.2 2、氢键供体数量：.1 3、氢键受体数量：5 4、可旋转化学键数量:1 5、互变异构体数量： 6、拓扑分子极性表面积（TPSA）:67.8 7、重原子数量：10 8、表面电荷：0 9、复杂度：127 10、同位素原子数量：0 11、确定原子立构中心数量：1 12、不确定原子立构中心数量：0 13、确定化学键立构中心数量：0 14、不确定化学键立构中心数量：0 15、共价键单元数量：1
更多	1.性状：未确定 2.密度（g/mL,25/4℃）：未确定 3.相对蒸汽密度（g/mL,空气=1）：未确定 4.熔点（ºC）：260-265 5.沸点（ºC,常压）：未确定 6.沸点（ºC,5.2kPa）：未确定 7.折射率：未确定 8.闪点（ºC）：未确定 9.比旋光度（º）：未确定 10.自燃点或引燃温度（ºC）：未确定 11.蒸气压（kPa,25ºC）：未确定 12.饱和蒸气压（kPa,60ºC）：未确定 13.燃烧热（KJ/mol）：未确定 14.临界温度（ºC）：未确定 15.临界压力（KPa）：未确定 16.油水（辛醇/水）分配系数的对数值：未确定 17.爆炸上限（%,V/V）：未确定 18.爆炸下限（%,V/V）：未确定 19.溶解性：未确定

Name:	2-Amino-4 4 4-trifluorobutyric acid Material Safety Data Sheet
Synonym:	3-Trifluoromethylalanin
CAS:	15960-05-1

Section 1 - Chemical Product MSDS Name:2-Amino-4 4 4-trifluorobutyric acid Material Safety Data Sheet
Synonym:3-Trifluoromethylalanin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
15960-05-1	2-Amino-4,4,4-trifluorobutyric acid	100.0	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Antidote: None reported.

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.
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. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 15960-05-1: 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: Solid
Color: Not available.
Odor: No apparent odor.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 256 deg C dec
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: C4H6F3NO2
Molecular Weight: 157.09

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 15960-05-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-4,4,4-trifluorobutyric acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 15960-05-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15960-05-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15960-05-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

危害码 (欧洲)	Xi
风险声明 (欧洲)	R36/37/38
安全声明 (欧洲)	S26;S37/S39

120097-65-6

~94%

15960-05-1

文献：Tsushima; Kawada; Ishihara; Uchida; Shiratori; Higaki; Hirata Tetrahedron, 1988 , vol. 44, # 17 p. 5375 - 5387

15960-04-0

15960-05-1

文献：Angewandte Chemie, , vol. 79, # 17/18 p. 822 - 823

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