65872-43-7 ((Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸,2-(Formylamino)-1,3-thiazol-4-yl(methoxyimino)acetic acid)

CAS号:
65872-43-7
中文名称:
(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸
英文名称:
2-(Formylamino)-1,3-thiazol-4-yl(methoxyimino)acetic acid
安全信息:
分子式:
C7H7N3O4S
分子量:
229.213179826736

(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸(65872-43-7)名称与标识符

名称

中文别名:
(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸;(Z)-2-(甲酰氨基)-α-(甲氧亚氨基)-4-噻唑乙酸;甲酰氨噻肟酸;(Z)-[2-(甲酰氨基)噻唑-4-基](甲氧基亚氨基)乙酸;
英文别名:
2-(2-Formamidothiazole-4-yl)-2-methoxyimino acetic acid;(Z)-2-(Formylamino)-alpha-methoxyimino-4-thiazoleacetic acid;(Z)-2-formamido-α-(methoxyimino)thiazol-4-acetic acid;(Z)-2-(2-FORMYLAMINOTHIAZOL-4-YL)-2-METHOXYIMINOACETIC ACID;[2-(Formylamino)-1,3-thiazol-4-yl](methoxyimino)acetic acid;(Z)-(2-Formylamino)-alpha-methoxyimino-4-thiazoleacetic acid;N-Formyloxamidine Acid;FTMA;DTXSID001189613;EINECS 265-958-6;(Z)-[2-(Formamido)thiazol-4-yl](methoxyimino)acetic acid, 97%;AKOS015892641;4-Thiazoleacetic acid,2-(formylamino)-a-(methoxyimino)-;W-104781;(Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid;2-(2-Formamidothiazol-4-yl)-2-(methoxyimino)acetic acid;A835259;(Z)-[2-(Formamido)thiazol-4-yl](methoxyimino)acetic acid;2-(2-FORMYLAMINOTHIAZOL-4-YL)-2-METHOXYIMINOACETIC ACID;2-(2-Formamidothiazol-4-yl)-2-(methoxyimino)aceticacid;SR-01000944925;(Z)-2-(2-Formylamino-4-thiazolyl)-2-(methoxyimino)acetic acid;SR-01000944925-1;SCHEMBL5440236;(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;83594-38-1;( Z )-2-(2-Formylaminothiazol-4-yl)-2-methoxyiminoacetic acid;(alphaZ)-2-(Formylamino)-alpha-(methoxyimino)-4-thiazoleacetic acid;SCHEMBL5318282;65872-43-7;AC-18998;(2Z)-2-(2-formamidothiazol-4-yl)-2-methoxyimino-acetic acid;

标识符

MDL:
MFCD00010413
InChIKey:
NRRJNSWNWIDHOX-YHYXMXQVSA-N
Inchi:
1S/C7H7N3O4S/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11/h2-3H,1H3,(H,12,13)(H,8,9,11)/b10-5-
SMILES:
S1C=C(/C(/C(=O)O)=N/OC)N=C1NC=O

(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸(65872-43-7)物化性质

实验特性

  • LogP : 0.85540
  • PSA : 129.12000
  • 折射率 : 1.6320 (estimate)
  • 沸点 : 438.5 °C at 760 mmHg
  • 熔点 : 163 °C (dec.) (lit.)
  • 闪点 : 219 °C
  • 颜色与性状 : 米黄色粉末
  • 溶解性 : 无可用
  • 密度 : 1.5953 (rough estimate)

计算特性

  • 精确分子量 : 229.01600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 229.016
  • 重原子数量 : 15
  • 复杂度 : 283
  • 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) : 0.8
  • 拓扑分子极性表面积 : 129A^2

(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸(65872-43-7)安全信息

(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸(65872-43-7)国际标准相关数据

EINECS:
265-958-6

(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸(65872-43-7)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%

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(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸(65872-43-7)参考资料

Beilstein:
988731
PubChem CID:

(Z)-2-(2-甲酰氨基噻唑-4-基)-2-甲氧亚氨基乙酸(65872-43-7) MSDS

基础信息

Name:2-(2-Formamidothiazole-4-yl)-2-methoxyimin o acetic acid, 95% Material Safety Data Sheet
Synonym:
CAS:65872-43-7
Section 1 - Chemical Product MSDS Name: 2-(2-Formamidothiazole-4-yl)-2-methoxyimin o acetic acid, 95% Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
65872-43-72-(2-formamidothiazole-4-yl)-2-methoxy265-958-6
+++++
Hazard Symbols: XI
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.Moisture sensitive. Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation.
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.
Ingestion:
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:


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.
SECTION 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
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. Exposure Limits CAS# 65872-43-7: Personal Protective Equipment
Eyes:
Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 165 deg 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: C7H7N3O4S
Molecular Weight: 229.18
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 65872-43-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2-formamidothiazole-4-yl)-2-methoxyimino acetic acid, 95% - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 65872-43-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 65872-43-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 65872-43-7 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #2 Date: 3/18/2003 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