56952-04-6 (甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸,2-Propenoic acid,2-(benzoylamino)-3-(dimethylamino)-, methyl ester)

CAS号:
56952-04-6
中文名称:
甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸
英文名称:
2-Propenoic acid,2-(benzoylamino)-3-(dimethylamino)-, methyl ester
分子式:
C13H16N2O3
分子量:
248.277743339539

甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸(56952-04-6)名称与标识符

名称

中文别名:
(z)-2-苯甲酰基氨基-3-二甲基氨基丙烯酸甲酯;2,4-二甲基恶唑;甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸;
英文别名:
2-Propenoic acid,2-(benzoylamino)-3-(dimethylamino)-, methyl ester;Methyl 2-(benzoylamino)-3-(dimethylamino)acrylate;2-benzoylamino-3-dimethylaminopropenoate;methyl 2-(benzoylamino)-3-(dimethylamino)prop-2-enoate;methyl 2-(benzoylamino)-3-(dimethylamino)propenoate;Methyl 2-(dimethylamino)-3-(dimethylamino)acrylate;METHYL 2-BENZAMIDO-3-DIMETHYLAMINO-PROP-2-ENOATE;methyl 2-N-benzoylamino-3-N,N-dimethylamino-2-propenoate;HMS1667A04;AKOS005069954;CCG-248070;methyl (2Z)-3-(dimethylamino)-2-(phenylformamido)prop-2-enoate;(Z)-Methyl 2-benzamido-3-(dimethylamino)acrylate;2E-914;2-Propenoic acid, 2-(benzoylamino)-3-(dimethylamino)-, methyl ester, (2Z)-;125008-68-6;MFCD00202513;56952-04-6;methyl (Z)-2-benzamido-3-(dimethylamino)prop-2-enoate;SCHEMBL12112859;CHEMBL3728201;J-521950;

标识符

MDL:
MFCD00202513
InChIKey:
FVLTUIYGIXNEOM-LUAWRHEFSA-N
Inchi:
1S/C13H16N2O3/c1-15(2)9-11(13(17)18-3)14-12(16)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,16)/b11-9-
SMILES:
O(C)C(/C(=C/N(C)C)/NC(C1C=CC=CC=1)=O)=O

甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸(56952-04-6)物化性质

实验特性

  • LogP : 1.38330
  • PSA : 58.64000
  • 熔点 : 172-175 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 248.11600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 248.11609238g/mol
  • 重原子数量 : 18
  • 复杂度 : 331
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 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) : 1.5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 58.6

甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸(56952-04-6)安全信息

甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸(56952-04-6)海关数据

海关编码:
2924299090
海关数据:

中国海关编码:

2924299090

概述:

2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 包装

Summary:

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸(56952-04-6)上下游

甲基(z)-2-苯甲酰氨基-3-二甲氨基丙烯酸(56952-04-6) MSDS

基础信息

Name:Methyl (z)-2-benzoylamino-3-dimethylaminopropenoate 98% Material Safety Data Sheet
Synonym:Iodo-PDSMTSC-Iron (IV) complex; Selenosemicarbazid
CAS:56952-04-6
Section 1 - Chemical Product ? MSDS Name:Methyl (z)-2-benzoylamino-3-dimethylaminopropenoate 98% Material Safety Data Sheet
Synonym:Iodo-PDSMTSC-Iron (IV) complex; Selenosemicarbazid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
56952-04-6Methyl(z)-2-benzoylamino-3-dimethylami98unlisted
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. May cause digestive tract disturbances. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. 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.
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:

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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation.
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# 56952-04-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 175-176 C
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: CH5N3Se
Molecular Weight: 138.01

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 56952-04-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl(z)-2-benzoylamino-3-dimethylaminopropenoate - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 56952-04-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 56952-04-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 56952-04-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A