52178-50-4 (3-甲醛苯甲酸甲酯,Methyl 3-formylbenzoate)

CAS号:
52178-50-4
中文名称:
3-甲醛苯甲酸甲酯
英文名称:
Methyl 3-formylbenzoate
安全信息:
分子式:
C9H8O3
分子量:
164.158022880554

3-甲醛苯甲酸甲酯(52178-50-4)名称与标识符

名称

中文别名:
3-甲醛苯甲酸甲酯;3-甲酰苯甲酸甲酯;3-甲酰基苯甲酸甲酯;甲基m-甲酰苯甲酸甲酯;间甲酰基苯甲酸甲酯;3-醛基苯甲酸甲酯;
英文别名:
Methyl 3-formylbenzoate;3-carbomethoxybenzaldehyde;3-formyl-benzoic acid methyl ester;3-methoxycarbonylbenzaldehyde;m-carbomethoxybenzaldehyde;methyl 3-methanoylbenzoate;Methyl benzaldehyde-3-carboxylate;methyl-3-formylbenzoate;Isophthalaldehydicacid, methyl ester (6CI,7CI);3-(Methoxycarbonyl)benzaldehyde;3-Formylbenzoic acid methyl ester;m-(Methoxycarbonyl)benzaldehyde;Methyl3-formylbenzoate;52178-50-4;benzoic acid, 3-formyl-, methyl ester;A828956;EN300-106923;BCP16016;SY004534;AS-8196;CS-W002489;m-methoxycarbonylbenzaldehyde;AKOS005265048;3-methoxycarbonyl-benzaldehyde;SCHEMBL47068;methyl m-formylbenzoate;UVSBCUAQEZINCQ-UHFFFAOYSA-N;AM20060653;Z1255415803;FT-0600580;5-(Carbobenzoxyamino)valericAcid;InChI=1/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H;Methyl 3-formylbenzoate, >=98.0% (GC);MFCD00189379;DTXSID70348623;DB-052085;DTXCID60299695;

标识符

MDL:
MFCD00189379
InChIKey:
UVSBCUAQEZINCQ-UHFFFAOYSA-N
Inchi:
1S/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3
SMILES:
O(C)C(C1C=CC=C(C=O)C=1)=O

3-甲醛苯甲酸甲酯(52178-50-4)物化性质

实验特性

  • LogP : 1.28570
  • PSA : 43.37000
  • 折射率 : 1.557
  • 沸点 : 272.8°C at 760 mmHg
  • 熔点 : 48-52 °C
  • 蒸气压 : 0.0±0.6 mmHg at 25°C
  • 闪点 : 118.2℃
  • 颜色与性状 : 粉末
  • 溶解性 : 未确定
  • 密度 : 1.2±0.1 g/cm3

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) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 43.4

3-甲醛苯甲酸甲酯(52178-50-4)安全信息

3-甲醛苯甲酸甲酯(52178-50-4)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%

3-甲醛苯甲酸甲酯(52178-50-4)推荐厂家 更多厂家(36)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
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汤思磊 2881489226
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山东玖玥生物科技有限公司 15553333686张文杰 643971
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江西伯业医药科技有限公司 15377010747
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湖北诺纳科技有限公司 18995657604
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吴经理 2933307129
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JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海创赛科技有限公司 15021221957
021-59553580
凌度 2852351983
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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铼博(上海)生化科技有限公司 13311756052
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3-甲醛苯甲酸甲酯(52178-50-4)上下游

3-甲醛苯甲酸甲酯(52178-50-4)相关文献

3-甲醛苯甲酸甲酯(52178-50-4)参考资料

Beilstein:
2690668
PubChem CID:

3-甲醛苯甲酸甲酯(52178-50-4) MSDS

基础信息

Name:Methyl 3-formylbenzoate Material Safety Data Sheet
Synonym:Methyl benzaldehyde-4-carboxylat
CAS:52178-50-4
Section 1 - Chemical Product ? MSDS Name:Methyl 3-formylbenzoate Material Safety Data Sheet
Synonym:Methyl benzaldehyde-4-carboxylat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
52178-50-4Methyl 3-formylbenzoateunlisted
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:
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 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# 52178-50-4: 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 49 - 51 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: practically insoluble
Specific Gravity/Density:
Molecular Formula: C9H8O3
Molecular Weight: 164.2

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 52178-50-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 3-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
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# 52178-50-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52178-50-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52178-50-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A