85803-62-9 (2-(4-甲基哌嗪)苯甲醛,2-(4-Methylpiperazin-1-yl)benzaldehyde)

快速询单

结构式：

2-(4-甲基哌嗪)苯甲醛MOL文件

CAS号：

85803-62-9

中文名称：

2-(4-甲基哌嗪)苯甲醛

英文名称：

2-(4-Methylpiperazin-1-yl)benzaldehyde

分子式：

C₁₂H₁₆N₂O

分子量：

204.268242835999

2-(4-甲基哌嗪)苯甲醛(85803-62-9)名称与标识符

名称

中文别名：

2-(4-甲基哌嗪)苯甲醛;

英文别名：

2-(4-Methylpiperazin-1-yl)benzaldehyde;2-(4-Methylpiperazino)benzadehyde;2-(4-METHYLPIPERAZINO)BENZALDEHYDE;Benzaldehyde,2-(4-methyl-1-piperazinyl)-;Benzaldehyde, 2-(4-methyl-1-piperazinyl)-;GSRYZPWIWYYROI-UHFFFAOYSA-N;4-methylpiperazin-1-ylbenzaldehyde;2-(4-methylpiperazinyl)benzaldehyde;SBB093340;2-(4-methylpiperazinyl)-benzaldehyde;2-(4-Methyl-1-piperazinyl)benzaldehyde;2-(4methyl-1-piperazinyl)-benzaldehyde;2-;2-(4-Methyl-1-piperazinyl)benzaldehyde (ACI);EN300-725369;CS-W006303;SCHEMBL414216;TS-02905;2-(4-methyl-1-piperazinyl)-benzaldehyde;85803-62-9;2-(4-methylpiperazino)benzaldehyde, AldrichCPR;DTXSID20383786;AKOS000260630;J-506070;MFCD01313808;2-(4-methylpiperazin-1-yl)-benzaldehyde;DB-019467;F10452;SY109568;

标识符

MDL：

MFCD01313808

InChIKey：

GSRYZPWIWYYROI-UHFFFAOYSA-N

Inchi：

1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,10H,6-9H2,1H3

SMILES：

O=CC1C(N2CCN(C)CC2)=CC=CC=1

2-(4-甲基哌嗪)苯甲醛(85803-62-9)物化性质

实验特性

LogP : 1.25380
PSA : 23.55000
折射率 : 1.581
沸点 : 110
熔点 : 44 °C
闪点 : 142.3°C
颜色与性状 : No data available
密度 : 1.107

计算特性

精确分子量 : 204.12600
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 204.126
重原子数量 : 15
复杂度 : 212
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） : 1.3
拓扑分子极性表面积 : 23.6

2-(4-甲基哌嗪)苯甲醛(85803-62-9)安全信息

2-(4-甲基哌嗪)苯甲醛(85803-62-9)海关数据

海关编码：

2933599090

海关数据：

中国海关编码：

2933599090

概述：

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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：

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(4-甲基哌嗪)苯甲醛(85803-62-9)推荐厂家更多厂家(17)

公司名称	手机号/电话	联系人	QQ	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
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金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
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赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单

2-(4-甲基哌嗪)苯甲醛(85803-62-9)合成路线

合成路线：1 步

446-52-6

109-01-3

_88%

85803-62-9

反应条件：

1.1 Catalysts: Potassium carbonate Solvents: Dimethylformamide ; 4 h, 120 °C

参考文献：

Ruthenium catalyzed β-C(sp3)-H functionalization on the 'privileged' piperazine nucleus

Murugesh, V.; et al, Chemical Communications (Cambridge, 2017, 53(75), 10448-10451

合成路线：1 步

446-52-6

109-01-3

_88%

85803-62-9

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ; 20 h, reflux; reflux → rt
1.2 Reagents: Water Solvents: Water

参考文献：

tert-Amino effect in heterocyclic chemistry. Synthesis of hydrogenated spiro derivatives of quinolines

D'yachenko, E. V.; et al, Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, 2004, 53(6), 1240-1247

2-(4-甲基哌嗪)苯甲醛(85803-62-9)上下游

1-[2-(4-甲基-1-哌嗪)苯基]甲胺 N-甲基哌嗪邻氟苯甲醛

2-(4-甲基哌嗪)苯甲醛(85803-62-9)相关文献

1. Ruthenium catalyzed β-C(sp3)–H functionalization on the ‘privileged’ piperazine nucleus
V. Murugesh,Christian Bruneau,Mathieu Achard,Apurba Ranjan Sahoo,Gangavaram V. M. Sharma,Surisetti Suresh Chem. Commun. 2017 53 10448

2-(4-甲基哌嗪)苯甲醛(85803-62-9)参考资料

Beilstein：

M195354

PubChem CID：

2795566

2-(4-甲基哌嗪)苯甲醛(85803-62-9) MSDS

基础信息

Name:	2-(4-Methylpiperazino)benzaldehyde 95+% Material Safety Data Sheet
Synonym:
CAS:	85803-62-9

Section 1 - Chemical Product ? MSDS Name:2-(4-Methylpiperazino)benzaldehyde 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
85803-62-9	2-(4-Methylpiperazino)benzaldehyde	95+%	unlisted

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

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Air 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 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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 an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 85803-62-9: 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: Viscous liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C12H16N2O
Molecular Weight: 204

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 85803-62-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Methylpiperazino)benzaldehyde - 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# 85803-62-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 85803-62-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 85803-62-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A