198545-76-5 (Fmoc-D-4-溴苯丙氨酸,Fmoc-D-4-Bromophenylalanine)

快速询单

结构式：

Fmoc-D-4-溴苯丙氨酸MOL文件

CAS号：

198545-76-5

中文名称：

Fmoc-D-4-溴苯丙氨酸

英文名称：

Fmoc-D-4-Bromophenylalanine

分子式：

C₂₄H₂₀BrNO₄

分子量：

466.323905944824

Fmoc-D-4-溴苯丙氨酸(198545-76-5)名称与标识符

名称

中文别名：

Fmoc-D-4-溴苯丙氨酸;N-(9-芴甲氧羰基)-4-溴苯基-D-丙氨酸;Fmoc-D-4-溴苯丙氨酸Fmoc-D-4-Br-Phe-OH;吡嗪-2-羰基氯;FMOC-4-溴-D-苯丙氨酸;FMOC-D-4-BR-苯丙氨酸;9-芴甲氧羰基-D-4-溴苯丙氨酸;N-芴甲氧羰基-D-4-溴苯丙氨酸;

英文别名：

Fmoc-4-bromo-D-phenylalanine;N-(9-Fluorenylmethoxycarbonyl)-4-bromophenyl-D-alanine;Fmoc-D-4-Bromophe;(R)-N-Fmoc-4-Bromophenylalanine;(R)-3-(4-BROMO-PHENYL)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID;Fmoc-D-4-Bromophenylalanine;FMoc-D-4-Br-Phe-OHFMoc-4-BroMo-D-Phenylalanin;AmbotzFAA1681;Fmoc-D-Phe(p-Br)-OH;Fmoc-L-phe(4-Br)-OH;FMOC-PBR-D-PHE-OH;Fmoc-D-4-Br-Phe-OH;RARECHEM BK PT 0048;FMOC-4'-BROMO-D-PHE;FMOC-D-PHE(4-BR)-OH;FMOC-4-BROMO-D-PHE-OH;FMOC-P-BROMO-D-PHE-OH;Fmoc-D-4-Bromo-phe-OH;(2R)-3-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-bromophenyl)propanoic acid;Fmoc-4-Bromo-D-Phenylalanin;KSC489O9H;Fmoc-?d-?4-?bromophenylalanine;AKOS015837361;Z2044793014;DTXSID40427252;MFCD00273459;AM82720;Fmoc-D-4-bromophenylalanine (Fmoc-D-Phe(4-Br)-OH);J-300380;(2R)-3-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;D-Phenylalanine, 4-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-;Fmoc-D-Phe(4-Br)-OH.nH2O;CS-W009382;AC-9639;PS-12136;A814007;(R)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(4-BROMOPHENYL)PROPANOIC ACID;SCHEMBL3195536;HY-W008666;Fmoc-D-4-bromophenylalanine, AldrichCPR;198545-76-5;N-Fluorenemethoxycarbonyl-L-4-Bromo Phenylalanine;4-Bromo-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-phenylalanine;(2R)-3-(4-bromophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid;EN300-624061;4-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine;(2R)-3-(4-bromophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid;

标识符

MDL：

MFCD00273459

InChIKey：

TVBAVBWXRDHONF-JOCHJYFZSA-N

Inchi：

1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1

SMILES：

BrC1C=CC(=CC=1)C[C@H](C(=O)O)NC(=O)OCC1C2C=CC=CC=2C2=CC=CC=C12

Fmoc-D-4-溴苯丙氨酸(198545-76-5)物化性质

实验特性

LogP : 5.37440
PSA : 75.63000
折射率 : 1.6500 (estimate)
沸点 : 660.8±55.0 °C at 760 mmHg
熔点 : No data available
闪点 : 353.4±31.5 °C
颜色与性状 : 无可用
溶解性 : 无可用
密度 : 1.4220 (rough estimate)

计算特性

精确分子量 : 465.05800
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 7
同位素质量 : 465.058
重原子数量 : 30
复杂度 : 584
同位素原子数量 : 0
确定原子立构中心数量 : 1
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 6
表面电荷 : -1
拓扑分子极性表面积 : 75.6

Fmoc-D-4-溴苯丙氨酸(198545-76-5)安全信息

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Fmoc-D-4-溴苯丙氨酸(198545-76-5)参考资料

Beilstein：

MFCD00273459

PubChem CID：

7020431

Fmoc-D-4-溴苯丙氨酸(198545-76-5) MSDS

基础信息

Name:	(R)-N-FMOC-4-Bromophenylalanine 95% (98% E.E.) Material Safety Data Sheet
Synonym:	N-(9-Fluorenylmethoxycarbonyl)-4-Bromophenyl-D-Alanine
CAS:	198545-76-5

Section 1 - Chemical Product ? MSDS Name:(R)-N-FMOC-4-Bromophenylalanine 95% (98% E.E.) Material Safety Data Sheet
Synonym:N-(9-Fluorenylmethoxycarbonyl)-4-Bromophenyl-D-Alanine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
198545-76-5	(R)-N-FMOC-4-Bromophenylalanine	95%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause 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:
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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 198545-76-5: 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: white to off-white
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: C24H20BrNO4
Molecular Weight: 466.32

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 198545-76-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-N-FMOC-4-Bromophenylalanine - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 198545-76-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 198545-76-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 198545-76-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A