19012-03-4 (1-甲基吲哚-3-甲醛,1-Methyl-1H-indole-3-carbaldehyde)

快速询单

结构式：

1-甲基吲哚-3-甲醛MOL文件

CAS号：

19012-03-4

中文名称：

1-甲基吲哚-3-甲醛

英文名称：

1-Methyl-1H-indole-3-carbaldehyde

安全信息：

分子式：

C₁₀H₉NO

分子量：

159.184562444687

1-甲基吲哚-3-甲醛(19012-03-4)名称与标识符

名称

中文别名：

1-甲基吲哚-3-甲醛;3-甲氧基-4-氯苯腈;N-甲基-3-吲哚甲醛;1-甲基吲哚-3-甲醇;3-甲醛-1-甲基吲哚;1-甲基3-吲哚甲醛;N-甲基吲哚-3-醛;3-甲酰-1-甲基吲哚;1-甲基-3-吲哚甲醛;1-甲基-3-甲酰吲哚;N-甲基-3-甲酰吲哚;

英文别名：

1-Methyl-1H-indole-3-carbaldehyde;1-Methylindole-3-carboxaldehyde;1-methylindole-3-carbaldehyde;1H-Indole-3-carboxaldehyde,1-methyl;1-methyl-1H-indol-3-carboxaldehyde;1-Methyl-3-formylindole;1-methyl-indole-3-carbaldehyde;3-formyl N-methyl indole;3-Formyl-1-methylindole;N-methylindole-3-carboxaldehyde;NSC 83042;AKOS JY2082515;RARECHEM AH BS 0121;TIMTEC-BB SBB010057;N-Methyl-3-formylindole;1 METHYLINDOLE-3-ALDEHYDE;N-Methylindole-3-aldehyde;N-methyl-3-carboxaldehyde;ASINEX-REAG BAS 12967420;1H-Indole-3-carboxaldehyde, 1-methyl-;Indole-3-carboxaldehyde, 1-methyl-;3-Formyl-1-methyl-1H-indole;N-Methyl-3-indolecarboxaldehyde;KXYBYRKRRGSZCX-UHFFFAOYSA-N;NSC83042;PubChem7503;BDBM50182875;A4193;1-methyl-1H-indole-3-carbaldehyde;1-Methylindole-3-carboxaldehyde;NS00026216;EN300-31045;NCGC00245440-01;SCHEMBL378958;SB15037;GEO-01854;1-methyl-1 H-indol-3-carboxaldehyde;BB 0255019;EINECS 242-750-3;CHEMBL210779;NSC-83042;MLS000718559;HMS2669I09;19012-03-4;NS-00004;BCP27540;SY008054;FT-0630302;InChI=1/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H;SMR000290827;1-Methyl-1-H-indole-3-carbaldehyde;UNII-Z612E3VMZ5;AI3-51477;MFCD00014570;AM803434;1-methyl-1h-indole-3-carboxaldehyde;AKOS000265019;Z612E3VMZ5;DTXSID50172483;CS-W017947;Q63409361;PD179600;N-methyl-indol-3-carbaldehyde;1-methylindole-3-aldehyde;N-Methylindole-3-carbaldehyde;AC-6596;NCIOpen2_001125;Z56785556;1-Methylindole-3-carboxaldehyde, 97%;M-3998;BBL010587;ALBB-006219;DB-013854;STK280622;

标识符

MDL：

MFCD00014570

InChIKey：

KXYBYRKRRGSZCX-UHFFFAOYSA-N

Inchi：

1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3

SMILES：

O=CC1=CN(C)C2C=CC=CC=21

BRN：

121302

1-甲基吲哚-3-甲醛(19012-03-4)物化性质

实验特性

LogP : 1.99080
PSA : 22.00000
折射率 : 1.585
水溶性 : Insoluble in water.
沸点 : 318.7℃ at 760 mmHg
熔点 : 70-72 °C (lit.)
闪点 : 146.5℃
颜色与性状 : 浅黄色至橙色或棕色结晶粉末
溶解性 : 不确定
敏感性 : Air Sensitive
密度 : 1.1000

计算特性

精确分子量 : 159.06800
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 159.068
重原子数量 : 12
复杂度 : 181
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） : 1.7
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 22

1-甲基吲哚-3-甲醛(19012-03-4)安全信息

符号： GHS07
WGK Germany： 3
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
危险品运输编号： NONH for all modes of transport
危害声明：H315,H319,H335
警示性声明：P261,P305+P351+P338
储存条件：充氩保存
危险类别码： 36/37/38
信号词： Warning
HazardClass： IRRITANT

1-甲基吲哚-3-甲醛(19012-03-4)国际标准相关数据

EINECS：

242-750-3

1-甲基吲哚-3-甲醛(19012-03-4)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%

1-甲基吲哚-3-甲醛(19012-03-4)推荐厂家更多厂家(39)

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1-甲基吲哚-3-甲醛(19012-03-4)上下游

9-甲基-Β-咔啉 N-甲基苯胺四甲基乙二胺吲哚 1H-Indole, 2,3-dibromo-1-methyl- 1-甲基吲哚-3-乙酸吲哚-3-甲醛 1-甲基吲哚碳酸二甲酯二甲基亚砜 N,N-二甲基甲酰胺 9'-methyl-9',9a'-dihydrospiro[adamantane-2,3'-[1,2]dioxino[3,4-b]indole] 碘甲烷 3-pyrrolidin-1-yl-methylene-3H-indole 硫酸二甲酯 3-甲基吲哚

1-甲基吲哚-3-甲醛(19012-03-4)相关文献

1. Domino alkyne insertion/aldol reaction/aromatization of 2-alkynyl indole-3-carbaldehyde with 1,3-diketones: entry to 2-indolyl phenols
Chada Raji Reddy,Karna Nair,Amol D. Patil,Ramachandra Reddy Donthiri,René Grée Org. Biomol. Chem. 2023 21 1046
2. A versatile and convenient method for the synthesis of substituted benzo[a]carbazoles and pyrido[2,3-a]carbazoles
Charles B. de Koning,Joseph P. Michael,Amanda L. Rousseau J. Chem. Soc. Perkin Trans. 1 2000 1705
3. Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling
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8. Tandem copper (Cu) catalysed N-arylation–vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles
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9. Ruthenium(ii)-catalyzed regioselective direct C4- and C5-diamidation of indoles and mechanistic studies
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10. Electrosynthesis of (hetero)aryl nitriles from α-imino-oxy acids via oxidative decarboxylation/N–O cleavage
Hui-Shan Lin,Shu-Jun Chen,Jing-Mei Huang Chem. Commun. 2022 58 8974

1-甲基吲哚-3-甲醛(19012-03-4)参考资料

Beilstein：

242-750-3

PubChem CID：

87894

1-甲基吲哚-3-甲醛(19012-03-4) MSDS

基础信息

Name:	1-Methylindole-3-carboxaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	19012-03-4

Section 1 - Chemical Product ? MSDS Name:1-Methylindole-3-carboxaldehyde 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
19012-03-4	1-Methylindole-3-carboxaldehyde	97%	242-750-3

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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes 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# 19012-03-4: 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: Light yellow to orange cryst. powder and chunks
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 70 - 72 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: soluble in acetone, diethyl ester
Specific Gravity/Density:
Molecular Formula:
Molecular Weight:

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 19012-03-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methylindole-3-carboxaldehyde - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 19012-03-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19012-03-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19012-03-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A