64485-88-7 (氨噻肟乙酯,Ethyl (Z)-2-amino-4-thiazolyl(methoxyimino)acetate)

CAS号:
64485-88-7
中文名称:
氨噻肟乙酯
英文名称:
Ethyl (Z)-2-amino-4-thiazolyl(methoxyimino)acetate
安全信息:
分子式:
C8H11N3O3S
分子量:
229.256240129471
相关分类:

氨噻肟乙酯(64485-88-7)名称与标识符

名称

中文别名:
氨噻肟乙酯;2-甲氧亚胺基-2-(2-氨基噻唑)-4-乙酸乙酯;氨噻肟酸乙酯;(Z)-2-(2-氨基-4-噻唑基)-2-(甲氧基亚氨基)乙酸乙酯;Ethyl (Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetate (Z)-2-(2-氨基-4-噻唑基)-2-(甲氧基亚氨基)乙酸乙酯;胺噻肟酸酯;烟酸正辛酯;(Z)-2-氨基-α-(甲氧基亚氨基)-4-噻唑乙酸乙酯;
英文别名:
(Z)-Ethyl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetate;EMATA;Ethyl 2-Amino-alpha-(methoxyimino)-4-thiazoleacetate;Ethyl 2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate;Ethyl (Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetate;Ethyl (Z)-[2-amino-4-thiazolyl](methoxyimino)acetate;Ethyl 2-(2-aminothiazole-4-yl)-2-methoxyiminoacetate;Ethyl-2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetate;ATE;(Z)-2-Amino-α-(methoxyimino)-4-thiazoleacetic Acid Ethyl Ester;(Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetic Acid Ethyl Ester;Ethyl (Z)-2-Amino-α-(methoxyimino)-4-thiazoleacetate;ETHYL (Z)-2-(2-AMINO-4-THIAZOLYL)-2-METHOXYIMINOACETATE;POBMBNPEUPDXRS-WDZFZDKYSA-N;MLS006011415;ethyl(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetate;2-AMINO-ALPHA-(METHOXYIMINO)-4-THIAZOLEACETIC ACID ETHYL ESTER;SMR0047032;ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetate;EINECS 262-470-5;ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate;Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate;Ethyl 2-amino-alpha-(methoxyimino)thiazol-4-acetate;SCHEMBL1143127;65052-66-6;E0990;SR-01000313887;AKOS000520825;Ethyl 2-amino-.alpha.-(methoxyimino)-4-thiazoleacetate;Ethyl (Z)-2-amino-alpha-(methoxyimino)thiazol-4-acetate;AC8902;EINECS 264-912-2;Ethyl (Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate;(Z)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic Acid Ethyl Ester;Ceftiofur oxime ethyl ester;A832920;Ethyl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanoate;CEFTIOFUR OXIME ETHYL ESTER [USP IMPURITY];AMINOTHIAZOLYL OXIME ETHYL ESTER [USP IMPURITY];EN300-21038379;60846-15-3;64485-88-7;6YVB0U48YE;(2-Amino-thiazol-4-yl)-methoxyimino-acetic acid ethyl ester;DTXSID101214037;AMINOTHIAZOLYL OXIME ETHYL ESTER;Ethyl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetate;4-Thiazoleacetic acid, 2-amino-.alpha.-(methoxyimino)-, ethyl ester, (Z)-;UNII-6YVB0U48YE;CS-0151934;W-104835;4-Thiazoleacetic acid, 2-amino-a-(methoxyimino)-, ethyl ester, (E)-;ethyl (2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetate;Ethyl (Z)-2-methoxyimino-2-(2-aminothiazo(-4-yl)acetale;Ethyl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanoate #;4-THIAZOLEACETIC ACID, 2-AMINO-.ALPHA.-(METHOXYIMINO)-, ETHYL ESTER, (.ALPHA.Z)-;(E)-ethyl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetate;AC-7607;SR-01000313887-1;4-Thiazoleacetic acid, 2-amino-a-(methoxyimino)-, ethyl ester, (Z)-;MFCD00071532;Ethyl (Z)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetate;STK177301;

标识符

MDL:
MFCD00071532
InChIKey:
POBMBNPEUPDXRS-WDZFZDKYSA-N
Inchi:
1S/C8H11N3O3S/c1-3-14-7(12)6(11-13-2)5-4-15-8(9)10-5/h4H,3H2,1-2H3,(H2,9,10)/b11-6-
SMILES:
S1C(N)=NC(=C1)/C(/C(=O)OCC)=N/OC

氨噻肟乙酯(64485-88-7)物化性质

实验特性

  • LogP : 1.22010
  • PSA : 115.04000
  • 折射率 : 1.6630 (estimate)
  • 水溶性 : may 分解ose
  • 沸点 : 363.4 oC at 760 mmHg
  • 熔点 : 162.0 to 166.0 deg-C
  • 闪点 : 363.4 oC at 760 mmHg
  • 颜色与性状 : 黄褐色粉末
  • 溶解性 : 无可用
  • 最大波长(λmax) : 297(EtOH)(lit.)
  • 密度 : 1.4042 (rough estimate)

计算特性

  • 精确分子量 : 229.05200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 同位素质量 : 229.052
  • 重原子数量 : 15
  • 复杂度 : 260
  • 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 : 0
  • 不确定化学键立构中心数量 : 1
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.6
  • 拓扑分子极性表面积 : 115

氨噻肟乙酯(64485-88-7)国际标准相关数据

EINECS:
264-912-2

氨噻肟乙酯(64485-88-7)海关数据

海关编码:
2934100090
海关数据:

中国海关编码:

2934100090

概述:

2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

氨噻肟乙酯(64485-88-7)生产方法和用途

用途:
用作头孢菌类药物中间体

氨噻肟乙酯(64485-88-7)参考资料

Reaxys RN:
614150
Beilstein:
E156196
PubChem CID:

氨噻肟乙酯(64485-88-7) MSDS

基础信息

Name:Ethyl 2(2-Aminothiazole-4-yl)-2-Methoxyiminoacetate 98% Material Safety Data Sheet
Synonym:Ethyl 2-Amino-1-(Methoxyimino)-4-Thiazoleacetate
CAS:64485-88-7
Section 1 - Chemical Product ? MSDS Name:Ethyl 2(2-Aminothiazole-4-yl)-2-Methoxyiminoacetate 98% Material Safety Data Sheet
Synonym:Ethyl 2-Amino-1-(Methoxyimino)-4-Thiazoleacetate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
64485-88-7Ethyl, 2(2-Aminothiazole-4-yl)-2-Metho98264-912-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Moisture sensitive.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.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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# 64485-88-7: 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: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 159.00 - 160.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: may decompose
Specific Gravity/Density:
Molecular Formula: C8H11N3O3S
Molecular Weight: 229.23

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Moisture.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 64485-88-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl, 2(2-Aminothiazole-4-yl)-2-Methoxyiminoacetate - 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# 64485-88-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64485-88-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64485-88-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A