5305-40-8 (4,6-二氯-5-嘧啶甲醛,4,6-Dichloropyrimidine-5-carbaldehyde)

快速询单

结构式：

4,6-二氯-5-嘧啶甲醛MOL文件

CAS号：

5305-40-8

中文名称：

4,6-二氯-5-嘧啶甲醛

英文名称：

4,6-Dichloropyrimidine-5-carbaldehyde

安全信息：

分子式：

C₅H₂Cl₂N₂O

分子量：

176.988178730011

4,6-二氯-5-嘧啶甲醛(5305-40-8)名称与标识符

名称

中文别名：

4,6-二氯-5-嘧啶甲醛;4,6-二氯-5-嘧啶甲醛,4,6-Dichloro-5-pyrimidinecarbaldehyde;4,6-二氯嘧啶-5-甲醛;漆酶;4,6-二氯-5-醛基嘧啶;4,6-二氯吡啶-5-甲醛;

英文别名：

4,6-Dichloropyrimidine-5-carbaldehyde;TIMTEC-BB SBB005606;ASISCHEM C51985;4,6-DICHLORO-PYRIMIDINE-5-CARBALDEHYDE;4,6-DICHLORO-5-PYRIMIDINECARBALDEHYDE;4,6-DICHLORO-5-PYRIMIDINE CARBOXALDEHYDE;4,6-Dichloropyrimidine-5-carboxaldehyde;4,6-dichloro-pyrimidine-5-carboxaldehyde;5-Pyrimidinecarboxaldehyde, 4,6-dichloro-;CS-D1502;4,6-Dichloropyrimidine-5-carboxaldehyde, 97%;EN300-64532;AM-807/25050006;A7725;PB34029;5305-40-8;XQSJHQXYQAUDFC-UHFFFAOYSA-N;AM20100299;4,6-dichloropyrimidine-5-carboaldehyde;4,6-DICHLORO-5-FORMYLPYRIMIDINE;FT-0600962;4,6-Dichloro-5-pyrimidinecarboxaldehyde;BCP9000137;W-203004;BCP22880;MFCD02257701;AKOS002391480;SY002620;AC-2705;SCHEMBL275155;1X-0802;DTXSID30356108;4,6-dichloropyrimidin-5-carbaldehyde;DB-006596;

标识符

MDL：

MFCD02257701

InChIKey：

XQSJHQXYQAUDFC-UHFFFAOYSA-N

Inchi：

1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H

SMILES：

ClC1C(C=O)=C(N=CN=1)Cl

4,6-二氯-5-嘧啶甲醛(5305-40-8)物化性质

实验特性

LogP : 1.59590
PSA : 42.85000
折射率 : 1.73
沸点 : 286.1℃ at 760 mmHg
熔点 : 66-71 °C
闪点 : 286.1°Cat760mmHg
颜色与性状 : Pale-yellow to Yellow-brown Solid
密度 : 1.588

计算特性

精确分子量 : 175.95400
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 175.9544181 g/mol
重原子数量 : 10
复杂度 : 123
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） : 1.6
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 42.8Å²
分子量 : 176.99

4,6-二氯-5-嘧啶甲醛(5305-40-8)安全信息

符号： GHS07
WGK Germany： 3
安全术语： S26-S36-S36/37
安全说明： S26-S36-S36/37
风险术语： R36/37/38
危险品标志： Xn
危险品运输编号： NONH for all modes of transport
危害声明：H302,H315,H317,H319
警示性声明：P280,P305+P351+P338
储存条件： 2-8°C
危险类别码： 22-36/38-43
信号词： Warning
HazardClass： IRRITANT

4,6-二氯-5-嘧啶甲醛(5305-40-8)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%

4,6-二氯-5-嘧啶甲醛(5305-40-8)生产方法和用途

方法：

HPLC

4,6-二氯-5-嘧啶甲醛(5305-40-8)推荐厂家更多厂家(92)

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4,6-二氯-5-嘧啶甲醛(5305-40-8)上下游

4-氯-1-甲基吡唑并[3,4-d]嘧啶 4,6-二氯嘧啶-5-甲腈 4-氯-1H-吡唑并[3,4-d]嘧啶

4,6-二氯-5-嘧啶甲醛(5305-40-8)相关文献

1. Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions
Bo Li,Zhizhou Yue,Haoyue Xiang,Linlin Lv,Shanshan Song,Zehong Miao,Chunhao Yang RSC Adv. 2014 4 358

4,6-二氯-5-嘧啶甲醛(5305-40-8)参考资料

Beilstein：

MFCD02257701

PubChem CID：

329759902

4,6-二氯-5-嘧啶甲醛(5305-40-8) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 4,6-Dichloro-5-pyrimidinecarbaldehyde
Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed
    H315:        Causes skin irritation
    H317:        May cause an allergic skin reaction
    H319:        Causes serious eye irritation
    P280:        Wear protective gloves/protective clothing/eye protection/face protection
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
Ingredient name: 4,6-Dichloro-5-pyrimidinecarbaldehyde
CAS number: 5305-40-8

Section 4. 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.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. 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.

Section 5. Fire ?ghting measures
    In the event of a ?re 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.

Section 6. 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.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.

Section 8. 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.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    No data
    Boiling point:
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula: C5H2Cl2N2O
    Molecular weight: 177.0

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. 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.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. 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