5-硝基噻吩-3-羧酸

5-硝基噻吩-3-羧酸 基本信息
CAS号 40357-96-8 分子式 C5H3NO4S
分子量 173.14700 精确质量  172.97800
PSA  111.36000 LogP  1.87770

基本信息 展开↓

CAS号:
40357-96-8
3D弹球模型:
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分子式:
C5H3NO4S
分子量:
173.14700
中文名称:
5-硝基噻吩-3-羧酸
英文名称:
5-Nitrothiophene-3-carboxylic acid
中文别名:
5-硝基噻吩-3-羧酸;
2-硝基噻吩-4-羧酸
英文别名:
5-Nitrothiophene-3-carboxylic acid;
2-Nitrothiophene-4-carboxylic acid;
5-nitrothiophene-3-carboxylic acid
精确分子量/精确质量:
172.97800
极性分子表面积/PSA:
111.36000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00052582
InChI:
InChI=1/C5H3NO4S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H,7,8)/p-1

物化性质展开↓

密度:
1.676g/cm3
熔点:
147 °C
沸点:
367.2ºC at 760mmHg
闪点:
175.9ºC
其它信息:

1. 熔点(ºC):147

安全信息展开↓

海关代码:
2934999090
危险类别码:
R36/37/38
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 88-13-1

    3-噻吩甲酸

  • ~74%

  • 40357-96-8

    5-硝基噻吩-3-羧酸

  • 22913-26-4

    3-噻吩甲酸甲酯

  • 40357-96-8

    5-硝基噻吩-3-羧酸

  • 88770-22-3

    5-硝基噻吩-3-羧酸甲酯

  • 40357-96-8

    5-硝基噻吩-3-羧酸

MSDS 展开↓

Name: 5-Nitrothiophene-3-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 40357-96-8
Section 1 - Chemical Product   MSDS Name:5-Nitrothiophene-3-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
40357-96-8 5-Nitrothiophene-3-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# 40357-96-8: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 145 - 146 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: C5H3NO4S
Molecular Weight: 173

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# 40357-96-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Nitrothiophene-3-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# 40357-96-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40357-96-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40357-96-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:38.11

2、  摩尔体积(cm3/mol):103.2

3、  等张比容(90.2K):103.2

4、  表面张力(dyne/cm):103.2

5、  极化率(10-24cm3):15.10

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