18999-45-6 (3-咪唑-1-丙酸,3-(1H-Imidazol-1-yl)propanoic acid)

CAS号:
18999-45-6
中文名称:
3-咪唑-1-丙酸
英文名称:
3-(1H-Imidazol-1-yl)propanoic acid
分子式:
C6H8N2O2
分子量:
140.139921188354

3-咪唑-1-丙酸(18999-45-6)名称与标识符

名称

中文别名:
3-(1-咪唑基)丙酸;3-咪唑-1-丙酸;1H-咪唑-1-丙酸;3-(1-咪唑)丙酸;3-咪唑基-1-基-丙酸;3-(1H-咪唑基-1-基)丙酸;3-(1H-咪唑基-1-基)丙酸盐酸盐;3-(1H-咪唑-1-基)丙酸;
英文别名:
3-(1H-imidazol-1-yl)propanoic acid;1H-Imidazole-1-propanoicacid;3-imidazol-1-ylpropanoic acid;3-Imidazol-1-yl-propionic acid hydrochloride;3-(1H-imidazol-1-yl)propanoic acid(SALTDATA: FREE);3-imidazolylpropanoic acid;imidazolyl propionic acid;AKOS MSC-0002;TIMTEC-BB SBB007368;3-(1-IMidazolyl)propanoic Acid;3-IMIDAZOL-1-YL-PROPIONIC ACID;3-(IMIDAZOLE-1-YL)-PROPIONIC ACID;3-(1H-imidazol-1-yl)propanoic acid hydrochloride;AKOS BBS-00002509;1H-IMIDAZOLE-1-PROPANOIC ACID;3-Imidazol-1-Yl-PropionicAcid;BAS 00341230;3-(1-imidazolyl)propionic acid;VSFNAZLYGOOSEY-UHFFFAOYSA-N;HMS1696K09;3-(imidazol-1-yl)-propionic acid;BCP11410;3(1H-imidazol-1-yl)propanoic acid;SBB007368;BDBM50026405;EN300-26163;3-imidazol-1-yl-propionic acid, AldrichCPR;CS-W002976;3-(1-Imidazolyl)propanoicAcid;A4192;AB12684;AC-26473;Z53111117;3-(1H-imidazol-1-yl)propanoic acid;3-(1-Imidazolyl)propanoic Acid;DTXSID80383348;AKOS000263943;18999-45-6;CHEMBL20724;BB 0219203;PS-3735;J-012268;SCHEMBL2001103;CHEBI:156055;MFCD02731119;3-CHLORO-2,2,3-TRIMETHYLBUTANE;SY024292;FT-0691080;DTXCID00334372;ALBB-007358;STK392438;BBL012376;DB-017673;

标识符

MDL:
MFCD02731119
InChIKey:
VSFNAZLYGOOSEY-UHFFFAOYSA-N
Inchi:
1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)
SMILES:
OC(CCN1C=NC=C1)=O

3-咪唑-1-丙酸(18999-45-6)物化性质

实验特性

  • LogP : 0.35780
  • PSA : 55.12000
  • 折射率 : 1.572
  • 沸点 : 390.9℃ at 760mmHg
  • 熔点 : 147-149 °C
  • 闪点 : 190.2°C
  • 颜色与性状 : White to Yellow Solid
  • 密度 : 1.26

计算特性

  • 精确分子量 : 140.05900
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 140.059
  • 重原子数量 : 10
  • 复杂度 : 127
  • 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) : -0.6
  • 拓扑分子极性表面积 : 55.1

3-咪唑-1-丙酸(18999-45-6)海关数据

海关编码:
2933290090
海关数据:

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-咪唑-1-丙酸(18999-45-6)相关文献

3-咪唑-1-丙酸(18999-45-6) MSDS

基础信息

Name:3-(1H-Imidazol-1-yl)propanoic acid Material Safety Data Sheet
Synonym:none know
CAS:18999-45-6
Section 1 - Chemical Product ? MSDS Name:3-(1H-Imidazol-1-yl)propanoic acid Material Safety Data Sheet
Synonym:none know

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
18999-45-63-(1H-Imidazol-1-yl)propanoic acid97+%unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
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. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
? Handling:
Use with adequate ventilation. Minimize dust generation and accumulation. 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# 18999-45-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 147 - 149 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: C6H8N2O2
Molecular Weight: 140.14

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, strong bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 18999-45-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(1H-Imidazol-1-yl)propanoic 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 18999-45-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18999-45-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18999-45-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A