2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 基本信息

中文名称:
2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 
中文别名:
2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸;
N-乙腈邻苯二甲酰亚胺;
2-(2-甲酰基氨基-1,3-噻唑-4-基)-2-(甲氧基亚氨基)乙酸 
英文名称:
4-Thiazoleacetic acid,2-(formylamino)-a-(methoxyimino)-
英文别名:
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;
2-(2-Formylamino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetic Acid;
2-(2-formamido-4-thiazolyl)-2-methoxyimino acetic acid;
2-(2-formylaminothiazol-4-yl)-2-methoxyiminoacetic acid;
(2-formylamino-thiazol-4-yl)-(Z)-methoxyimino-acetic acid;
(2-N-formylamino-thiazol-4-yl)-methoxyimino acetic acid;
2-(1,3-DIOXOISOINDOLIN-2-YL)ACETONITRILE;
(Z)-[2-(Formamido)thiazol-4-yl](methoxyimino)acetic acid;
syn-2-Methoxyimino-2-(2-formamido-1,3-thiazol-4-yl)essigsaeure 
CAS No.:
83594-38-1
分 子 式:
C7H7N3O4S
分 子 量:
229.21
精确分子量:
229.01600
PSA:
129.12000
MDL:
MFCD00010413
EINECS:
265-958-6
InChI:
The Key: NRRJNSWNWIDHOX-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S36
分子结构式:
SDS:
查看

2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 物化性质

熔点:
163ºC (dec.)(lit.)
沸点:
438.5ºC at 760 mmHg
闪点:
219ºC
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.      性状:无可用

2.      密度(g/mL,25/4):无可用

3.      相对蒸汽密度(g/mL,空气=1):无可用

4.      熔点(ºC):163

5.      沸点(ºC,常压):无可用

6.      沸点(ºC,5.2kPa):无可用

7.      折射率:无可用

8.      闪点(ºC):无可用

9.      比旋光度(º):无可用

10.   自燃点或引燃温度(ºC):无可用

11.   蒸气压(kPa,25ºC):无可用

12.   饱和蒸气压(kPa,60ºC):无可用

13.   燃烧热(KJ/mol):无可用

14.   临界温度(ºC):无可用

15.   临界压力(KPa):无可用

16.   油水(辛醇/水)分配系数的对数值:无可用

17.   爆炸上限(%,V/V):无可用

18.   爆炸下限(%,V/V):无可用

19.   溶解性:无可用

2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 安全信息

海关代码:
2934100090
危险类别码:
R36/37/38
安全说明:
26-36
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi: Irritant;

2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 MSDS

Name: 2-(2-formylamino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid Material Safety Data Sheet
Synonym:
CAS: 83594-38-1
Section 1 - Chemical Product MSDS Name: 2-(2-formylamino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
83594-38-1 2-(2-formylamino-1,3-thiazol-4-yl)-2-( 97 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.
SECTION 4 - FIRST AID MEASURES
Eyes:
Not available.
Skin:
Not available.
Ingestion:
Not available.
Inhalation:
Not available.
Notes to Physician:


SECTION 5 - FIRE FIGHTING MEASURES
General Information:
Not available.
Extinguishing Media:
Not available.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Not available.
SECTION 7 - HANDLING and STORAGE
Handling:
Not available.
Storage:
Not available.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Exposure Limits CAS# 83594-38-1: Personal Protective Equipment
Eyes:
Not available.
Skin:
Not available.
Clothing:
Not available.
Respirators:
Not available.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 88 - 90 deg C @5mmHg
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: C10H11N
Molecular Weight: 145
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 83594-38-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2-formylamino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid - 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 No information available. IMO No information available. RID/ADR No information available.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: WGK (Water Danger/Protection) CAS# 83594-38-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 83594-38-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 83594-38-1 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 4/04/2003 Revision #0 Date: Original. 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

2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 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
摘要/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%

2-(2-甲酰胺基噻唑-4-基)-2-甲氧乙酸 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:52.98

2、  摩尔体积(m3/mol):142.9

3、  等张比容(90.2K):407.2

4、  表面张力(dyne/cm):65.9

5、  极化率10-24cm3):21.00

计算化学数据

1、  疏水参数计算参考值(XlogP):1.5

2、  氢键供体数量:1

3、  氢键受体数量:6

4、  可旋转化学键数量:3

5、  拓扑分子极性表面积(TPSA):104

6、  重原子数量:15

7、  表面电荷:-1

8、  复杂度:278

9、  同位素原子数量:0

10、  确定原子立构中心数量:0

11、  不确定原子立构中心数量:0

12、  确定化学键立构中心数量:1

13、  不确定化学键立构中心数量:0

14、  共价键单元数量:1

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