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136590-83-5生产厂家

136590-83-5价格

136590-83-5

136590-83-5结构式
136590-83-5结构式

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中文名 3,5-二氯吡啶-4-甲醛
英文名 3,5-Dichloroisonicotinaldehyde
中文别名 3.5-二氯-4吡啶甲醛
英文别名 3,5-Dichloroisonicotinaldehyde
4-Pyridinecarboxaldehyde, 3,5-dichloro-
3,5-dichloropyridine-4-carbaldehyde
3,5-Dichloro-4-Formyl Pyridine
3,5-Dichloro-4-pyridinecarboxaldehyde
MFCD04039921
描述 3,5-二氯异丁醛是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。
相关类别
密度 1.5±0.1 g/cm3
沸点 242.4±35.0 °C at 760 mmHg
熔点 75-79ºC(lit.)
分子式 C6H3Cl2NO
分子量 176.00
闪点 100.4±25.9 °C
精确质量 174.959167
PSA 29.96000
LogP 2.32
蒸汽压 0.0±0.5 mmHg at 25°C
折射率 1.608
储存条件 室温,干燥
分子结构

五、分子性质数据:

1、 摩尔折射率:40.88

2、 摩尔体积(m3/mol):118.2

3、 等张比容(90.2K):318.2

4、 表面张力(dyne/cm):52.4

5、 极化率(10-24cm3):16.20

计算化学

1.疏水参数计算参考值(XlogP):1.6

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积30

7.重原子数量:10

8.表面电荷:0

9.复杂度:121

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 3,5-Dichloro-4-pyridinecarboxaldehyde
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:3,5-Dichloro-4-pyridinecarboxaldehyde
CAS number:136590-83-5

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C6H3Cl2NO
Molecular weight: 176

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A
符号 GHS07
GHS07
信号词 Warning
危害声明 H315-H319-H335
警示性声明 P261-P305 + P351 + P338
个人防护装备 dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲) Xi: Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) 26-36
危险品运输编码 NONH for all modes of transport
WGK德国 3
海关编码 2933399090

~79%

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文献:SS Pharmaceutical Co., Ltd. Patent: US5935977 A1, 1999 ; US 5935977 A

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文献:WO2006/81072 A1, ; Page/Page column 17 ; WO 2006/081072 A1

~91%

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文献:Stewart; Bhatia; McCarty; Patel; Staeger; Arendsen; Gunawardana; Melcher; Zhu; Boyd; Fry; Cool; Kiflie; Lartey; Marsh; Kempf-Grote; Kilgannon; Wisdom; Meyer; Gallatin; Okasinskit Journal of Medicinal Chemistry, 2001 , vol. 44, # 6 p. 988 - 1002

~%

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文献:US6303613 B1, ; US 6303613 B1

~%

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文献:US6232320 B1, ;

~71%

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文献:Ito, Yoshikatsu; Kunimoto, Kazuhiko; Miyachi, Shigehiro; Kako, Takeshi Tetrahedron Letters, 1991 , vol. 32, # 32 p. 4007 - 4010

~%

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文献:Heterocycles, , vol. 41, # 4 p. 675 - 688
海关编码 2933399090
中文概述 2933399090. 其他结构含非稠合吡啶环的化合物. 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 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%