4100-13-4 (1,2,3-噻二唑-4-羧酸,1,2,3-Thiadiazole-4-carboxylic acid)

快速询单

结构式：

1,2,3-噻二唑-4-羧酸MOL文件

CAS号：

4100-13-4

中文名称：

1,2,3-噻二唑-4-羧酸

英文名称：

1,2,3-Thiadiazole-4-carboxylic acid

分子式：

C₃H₂N₂O₂S

分子量：

130.125178813934

1,2,3-噻二唑-4-羧酸(4100-13-4)名称与标识符

名称

中文别名：

1,2,3-噻二唑-4-羧酸;1,2,3-噻二唑-4-甲酸;1,2,3-噻重氮-4-羧酸;

英文别名：

1,2,3-Thiadiazole-4-carboxylic acid;4-Carboxy-1,2,3-thiadiazole;thiadiazole-4-carboxylic acid;[1,2,3]Thiadiazole-4-carboxylic acid;A825383;NSC521674;[1 pound not2 pound not3]Thiadiazole-4-carboxylicacid;NSC-521674;FT-0606221;DTXSID50325896;MFCD00052099;1,2,3-thiadiazole-4-carboxylic acid, AldrichCPR;AE-842/30373016;CS-0038011;AKOS004903384;9L-544S;1,2,3-thiadiazole4-carboxylic acid;thiadiazole-4-carboxylate;1,2,3-Thiadiazole-4-carboxylic Acid;4100-13-4;BB 0218297;Z178960862;SCHEMBL243344;BP-10145;CHEMBL247337;EN300-24297;F8880-4272;HJZYBDPHAHGHAZ-UHFFFAOYSA-N;J-503778;SY007300;1,2,3-THIADIAZOLE-4-CARBOXYLICACID;BBL010216;STK988508;ALBB-026643;DTXCID40277012;123-T-4CA;DB-049695;

标识符

MDL：

MFCD00052099

InChIKey：

HJZYBDPHAHGHAZ-UHFFFAOYSA-N

Inchi：

1S/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7)

SMILES：

S1C=C(C(=O)O)N=N1

BRN：

113707

1,2,3-噻二唑-4-羧酸(4100-13-4)物化性质

实验特性

LogP : 0.23630
PSA : 91.32000
水溶性 : Slightly soluble in water.
沸点 : 322.3 ℃ at 760 mmHg
熔点 : 224-226 ºC
闪点 : 148.7 °C
颜色与性状 : 黄色固体
密度 : 1.67

计算特性

精确分子量 : 129.98400
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 129.984
重原子数量 : 8
复杂度 : 108
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 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 91.3A^2

1,2,3-噻二唑-4-羧酸(4100-13-4)安全信息

1,2,3-噻二唑-4-羧酸(4100-13-4)海关数据

海关编码：

2934999090

海关数据：

中国海关编码：

2934999090

概述：

2934999090. 其他杂环化合物. 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:20.0%

申报要素：

品名, 成分含量, 用途

Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,2,3-噻二唑-4-羧酸(4100-13-4)推荐厂家更多厂家(13)

公司名称	手机号/电话	联系人	QQ	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
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上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
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JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单

1,2,3-噻二唑-4-羧酸(4100-13-4)相关文献

1. 962. Congeners of pyridine-4-carboxyhydrazide. Part II. Derivatives of 1,2,3-thiadiazole
D. L. Pain,R. Slack J. Chem. Soc. 1965 5166
2. High resolution mass spectrometry. Part VII. 1,2,3-Thiadiazole derivatives
B. J. Millard,D. L. Pain J. Chem. Soc. C 1970 2042

1,2,3-噻二唑-4-羧酸(4100-13-4) MSDS

基础信息

Name:	1 2 3-Thiadiazole-4-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	4100-13-4

Section 1 - Chemical Product ? MSDS Name:1 2 3-Thiadiazole-4-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4100-13-4	1,2,3-Thiadiazole-4-carboxylic acid	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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:
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.
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.
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. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4100-13-4: Personal Protective Equipment Eyes: Not available.
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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 227 - 228 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: C3H2N2O2S
Molecular Weight: 130

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 4100-13-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2,3-Thiadiazole-4-carboxylic 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 4100-13-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4100-13-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4100-13-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A