4122-56-9 (2-醛基苯甲酸甲酯,Methyl 2-formylbenzoate)

快速询单

结构式：

2-醛基苯甲酸甲酯MOL文件

CAS号：

4122-56-9

中文名称：

2-醛基苯甲酸甲酯

英文名称：

Methyl 2-formylbenzoate

分子式：

C₉H₈O₃

分子量：

164.158022880554

2-醛基苯甲酸甲酯(4122-56-9)名称与标识符

名称

中文别名：

2-醛基苯甲酸甲酯;2-甲酰苯甲酸甲酯;2-甲酰基苯甲酸甲酯;3-氨-2,6-二氟苯甲酸甲酯;邻甲酰基苯甲酸甲酯;

英文别名：

Methyl 2-formylbenzoate;Methyl 2-formylbenzenecarboxylate;2-CARBOMETHOXYBENZALDEHYDE;2-Formyl-benzoic acid methyl ester;2-methoxycarbonylbenzaldehyde;Benzoicacid,2-formyl-,methylester;methyl benzaldehyde-2-carboxylate;methyl o-formylbenzoate;methyl-2-formyl-benzoate;Phthalaldehydic acid methyl ester;Phthalaldehydicacid, methyl ester (6CI,7CI,8CI);2-(Methoxycarbonyl)benzaldehyde;2-Formylbenzoic acid methyl ester;Methyl phthalaldehydate;NSC 52152;o-(Methoxycarbonyl)benzaldehyde;o-Carbomethoxybenzaldehyde;o-Phthalaldehydicacid methyl ester;Methyl2-formylbenzoate;Phthalaldehydic acid, methyl ester;Benzoic acid, formyl-, methyl ester;YRMODRRGEUGHTF-UHFFFAOYSA-N;Benzoic acid, 2-formyl-, methyl ester;Methyl 2-FormYl-Benzoate;methylformylbenzenecarboxylate;METHYL-2-FORMYLBENZOATE;Formyl-benzoic acid methyl ester;2-formyl-be;NSC52152;STL556955;CL8542;BBL103145;SBB064193;4122-56-9;CS-W004677;GLYCEROPHOSPHATEDISODIUMSALT:HYDRATE;FT-0628455;EN300-13720;J-522021;SCHEMBL121356;Z54125420;P9JT9BVR5L;10X-0992;DTXSID60961507;A20418;MFCD00204231;AM84164;SY012783;NSC-52152;AKOS001111170;Methyl 2-formylbenzoic acid;DB-049729;DTXCID701389331;

标识符

MDL：

MFCD00204231

InChIKey：

YRMODRRGEUGHTF-UHFFFAOYSA-N

Inchi：

1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3

SMILES：

O(C)C(C1C=CC=CC=1C=O)=O

2-醛基苯甲酸甲酯(4122-56-9)物化性质

实验特性

LogP : 1.28570
PSA : 43.37000
折射率 : 1.5411
沸点 : 280°C at 760 mmHg
闪点 : 122.2 °C
颜色与性状 : 淡黄色固体
密度 : 1.181

计算特性

精确分子量 : 164.04700
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 164.047344
重原子数量 : 12
复杂度 : 177
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） : 1.2
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 43.4

2-醛基苯甲酸甲酯(4122-56-9)安全信息

2-醛基苯甲酸甲酯(4122-56-9)海关数据

海关编码：

2918300090

海关数据：

中国海关编码：

2918300090

概述：

2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

2-醛基苯甲酸甲酯(4122-56-9)推荐厂家更多厂家(46)

公司名称	手机号/电话	联系人	QQ	询单
湖北永阔科技有限公司	18064098002 027-59223108	孙瑶	1248580055	询单
上海楷森生物科技有限公司	17558870519 175-58870519	赵经理	3003926540	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301	询单
湖北扬信医药科技有限公司	13092795037 0714-3996388	熊磊	3003473323	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单
湖北广奥生物科技有限公司	13657291602	郭银	1098480033	询单
湖北拓邦化工有限公司	15102763473 027-59106185	涂梦婷	1400868822/1248089955	询单
湖北鑫红利化工有限公司	15172537016 027-59503710	祝雨薇	1018283355	询单

2-醛基苯甲酸甲酯(4122-56-9)合成路线

合成路线：1 步

_18%

反应条件：

1.1 Reagents: Ozone Solvents: Methanol

参考文献：

Aqueous ozonolysis products of methyl- and dimethylnaphthalenes

Gaul, Michael D.; et al, Environmental Science and Technology, 1987, 21(8), 777-84

2-醛基苯甲酸甲酯(4122-56-9)上下游

2-(二氟甲基)苯甲酸甲酯 2-(5-噁唑)苯甲酸甲酯 3-苯基苯酞 2-(二氟甲基)苯甲酸

2-醛基苯甲酸甲酯(4122-56-9)相关文献

1. Catalytic cascade aldol–cyclization of tertiary ketone enolates for enantioselective synthesis of keto-esters with a C–F quaternary stereogenic center
Wanxing Sha,Lijun Zhang,Wenzhong Zhang,Haibo Mei,Vadim A. Soloshonok,Jianlin Han,Yi Pan Org. Biomol. Chem. 2016 14 7295
2. Transition metal-free advanced synthetic approaches for isoindolinones and their fused analogues
Shubhankar Samanta,Sk Asraf Ali,Anirban Bera,Soumen Giri,Khokan Samanta New J. Chem. 2022 46 7780
3. Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones
Masaaki Yohda,Yasunori Yamamoto Org. Biomol. Chem. 2015 13 10874
4. Synthesis of piloquinone, a metabolite of Streptomyces pilosus ettlinger
Terry M. Cresp,Robin G. F. Giles,Melvyn V. Sargent,Charles Brown,David O'N. Smith J. Chem. Soc. Perkin Trans. 1 1974 2435
5. Binaphthyl–prolinol chiral ligands: design and their application in enantioselective arylation of aromatic aldehydes
Chao Yao,Yaoqi Chen,Ruize Sun,Chao Wang,Yue Huang,Lin Li,Yue-Ming Li Org. Biomol. Chem. 2021 19 3644
6. Bifunctional building blocks in the Ugi-azide condensation reaction: a general strategy toward exploration of new molecular diversity
Steven Gunawan,Christopher Hulme Org. Biomol. Chem. 2013 11 6036
7. An efficient synthetic route to 1,3-bis(arylethynyl)isobenzofuran using alkoxybenzocyclobutenone as a reactive platform
Kenta Asahina,Suguru Matsuoka,Ryosuke Nakayama,Toshiyuki Hamura Org. Biomol. Chem. 2014 12 9773
8. Isocyanide based [4+1] cycloaddition reactions: an indispensable tool in multi-component reactions (MCRs)
Tanpreet Kaur,Preeti Wadhwa,Sourav Bagchi,Anuj Sharma Chem. Commun. 2016 52 6958
9. Qualitative analysis and quality control of Traditional Chinese Medicine preparation Tanreqing injection by LC-TOF/MS and HPLC-DAD-ELSD
Liang Sun,Hua Wei,Feng Zhang,Shouhong Gao,Qinghua Zeng,Wenquan Lu,Wansheng Chen,Yifeng Chai Anal. Methods 2013 5 6431
10. Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides
Prithiba Mitra,Brateen Shome,Saroj Ranjan De,Anindya Sarkar,Dipakranjan Mal Org. Biomol. Chem. 2012 10 2742

2-醛基苯甲酸甲酯(4122-56-9) MSDS

基础信息

Name:	Methyl 2-formylbenzoate 97% Material Safety Data Sheet
Synonym:
CAS:	4122-56-9

Section 1 - Chemical Product ? MSDS Name:Methyl 2-formylbenzoate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4122-56-9	Methyl 2-formylbenzoate	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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 foam, dry chemical, or carbon dioxide.

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.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4122-56-9: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78 - 80 deg C @0.01mmHg
Freezing/Melting Point: Not available.
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: C9H8O3
Molecular Weight: 164

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Acids, bases, oxidizing agents, reducing agents, amines.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 4122-56-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-formylbenzoate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 4122-56-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4122-56-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4122-56-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A