175205-91-1 (4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯,Methyl 4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylate)

快速询单

结构式：

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯MOL文件

CAS号：

175205-91-1

中文名称：

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯

英文名称：

Methyl 4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

分子式：

C₉H₁₁NO₃

分子量：

181.188542604446

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1)名称与标识符

名称

中文别名：

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯;2,3-萘并-15-冠醚-5;4-甲酰-2,5-二甲基-1H-吡咯-3-羧酸甲酯;4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸甲酯;

英文别名：

Methyl 4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylate;4-Formyl-2,5-Dimethyl-1H-Pyrrole-3-carboxylic Acid Methyl Ester;Methyl 2,5-dimethyl-4-formyl-1H-pyrrole-3-carboxylate;METHYL 4-FORMYL-2,5-DIMETHYL-1H-PYRROLE-3 CARBOXYLATE;methyl 4-formyl-2,5-dimethylpyrrole-3-carboxylate;METHYL 2,5-DIMETHYL-4-FORMYLPYRROLE-3-CARBOXYLATE;2,5-Dimethyl-4-(methoxycarbonyl)-1H-pyrrole-3-carboxaldehyde;1H-Pyrrole-3-carboxylicacid,4-formyl-2,5-dimethyl-,methylester(9CI);Methyl 4-forMyl-2,5-diMethylpyrrole-3-carboxylate, 96%;FT-0628639;?METHYL 4-FORMYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE;SCHEMBL4804422;BS-21755;BP-11240;DTXSID50384004;METHYL4-FORMYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE;1H-Pyrrole-3-carboxylicacid, 4-formyl-2,5-dimethyl-, methyl ester;AKOS006228431;SB62233;CS-0205925;MFCD00203870;175205-91-1;OHVCRNQTGBXAPW-UHFFFAOYSA-N;A881604;1H-Pyrrole-3-carboxylic acid, 4-formyl-2,5-dimethyl-, methyl ester;Methyl 2,5-dimethyl-4-formyl-pyrrole-3-carboxylate;

标识符

MDL：

MFCD00203870

InChIKey：

OHVCRNQTGBXAPW-UHFFFAOYSA-N

Inchi：

1S/C9H11NO3/c1-5-7(4-11)8(6(2)10-5)9(12)13-3/h4,10H,1-3H3

SMILES：

O(C)C(C1C(C=O)=C(C)NC=1C)=O

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1)物化性质

实验特性

LogP : 1.23060
PSA : 59.16000
折射率 : 1.565
沸点 : 386.7°Cat760mmHg
熔点 : 160 °C
蒸气压 : 0.0±0.9 mmHg at 25°C
闪点 : 187.7°C
颜色与性状 : 粉末
溶解性 : 未确定
密度 : 1.209

计算特性

精确分子量 : 181.07400
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 181.074
重原子数量 : 13
复杂度 : 217
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） : 0.8
互变异构体数量 : 5
表面电荷 : 0
拓扑分子极性表面积 : 59.2A^2

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1)安全信息

安全术语： S26;S37/39
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
危险类别码： 36/37/38
信号词： warning

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1)国际标准相关数据

EINECS：

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1)推荐厂家更多厂家(1)

公司名称	手机号/电话	联系人	QQ	微信	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

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1)参考资料

Reaxys RN：

PubChem CID：

2798463

4-甲酸-2,5-二甲基-1H-吡咯-3-羧酸甲酯(175205-91-1) MSDS

基础信息

Name:	Methyl 4-formyl-2 5-dimethyl-1h-pyrrole-3-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	175205-91-1

Section 1 - Chemical Product ? MSDS Name:Methyl 4-formyl-2 5-dimethyl-1h-pyrrole-3-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175205-91-1	Methyl 4-formyl-2,5-dimethyl-1H-pyrrol	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# 175205-91-1: 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: 179 - 181 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: C9H11NO3
Molecular Weight: 181

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175205-91-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 4-formyl-2,5-dimethyl-1H-pyrrole-3-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
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# 175205-91-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175205-91-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175205-91-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A