102123-28-4 (3-氨基-4-氰基噻吩-2-羧酸甲酯,Methyl 3-Amino-4-cyanothiophene-2-carboxylate)

CAS号:
102123-28-4
中文名称:
3-氨基-4-氰基噻吩-2-羧酸甲酯
英文名称:
Methyl 3-Amino-4-cyanothiophene-2-carboxylate
分子式:
C7H6N2O2S
分子量:
182.199739933014

3-氨基-4-氰基噻吩-2-羧酸甲酯(102123-28-4)名称与标识符

名称

中文别名:
3-氨基-4-氰基噻吩-2-羧酸甲酯;
英文别名:
2-Thiophenecarboxylicacid, 3-amino-4-cyano-, methyl ester;BUTTPARK 75\15-82;3-Amino-4-cyano-2-methoxycarbonylthiophene;Methyl 3-aMino-4-cyanothiophen-2-carboxylate;METHYL 3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE;3-Amino-4-cyanothiophenecarboxylic acid methyl ester;FT-0628535;DTXSID60380916;CEA12328;EN300-97269;102123-28-4;D86804;CCG-45784;W-204445;SR-01000635533-1;MFCD00052590;methyl-3-AMINO-4-CYANOTHIOPHENE-2-CARBOXYLATE;AKOS005255205;2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester;AEWVEROSMGRHRG-UHFFFAOYSA-N;2-Thiophenecarboxylicacid,3-amino-4-cyano-,methyl ester;CS-0218005;PS-4380;Methyl3-amino-4-cyanothiophene-2-carboxylate;Methyl 3-amino-4-cyano thiophene-2-carboxylate;SCHEMBL9097371;Z1201618287;STL557492;DB-007662;BBL103682;

标识符

MDL:
MFCD00052590
InChIKey:
AEWVEROSMGRHRG-UHFFFAOYSA-N
Inchi:
1S/C7H6N2O2S/c1-11-7(10)6-5(9)4(2-8)3-12-6/h3H,9H2,1H3
SMILES:
S1C=C(C#N)C(=C1C(=O)OC)N

3-氨基-4-氰基噻吩-2-羧酸甲酯(102123-28-4)物化性质

实验特性

  • LogP : 1.56978
  • PSA : 104.35000
  • 折射率 : 1.597
  • 沸点 : 384.6°Cat760mmHg
  • 熔点 : 151-152
  • 闪点 : 186.4°C
  • 密度 : 1.4

计算特性

  • 精确分子量 : 182.01500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 182.015
  • 重原子数量 : 12
  • 复杂度 : 235
  • 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) : 1.4
  • 拓扑分子极性表面积 : 104A^2

3-氨基-4-氰基噻吩-2-羧酸甲酯(102123-28-4)安全信息

3-氨基-4-氰基噻吩-2-羧酸甲酯(102123-28-4)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%

3-氨基-4-氰基噻吩-2-羧酸甲酯(102123-28-4)推荐厂家 更多厂家(11)

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3-氨基-4-氰基噻吩-2-羧酸甲酯(102123-28-4) MSDS

基础信息

Name:Methyl 3-amino-4-cyanothiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:102123-28-4
Section 1 - Chemical Product ? MSDS Name:Methyl 3-amino-4-cyanothiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
102123-28-4Methyl 3-amino-4-cyanothiophene-2-carb97%unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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:

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 102123-28-4: 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: grey
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 151 - 152 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: C7H6N2O2S
Molecular Weight: 182

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 102123-28-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 3-amino-4-cyanothiophene-2-carboxylate - 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
Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 102123-28-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 102123-28-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 102123-28-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A