86265-88-5 (3溴-4-氯苯甲醛,3-Bromo-4-chlorobenzaldehyde)

快速询单

结构式：

3溴-4-氯苯甲醛MOL文件

CAS号：

86265-88-5

中文名称：

3溴-4-氯苯甲醛

英文名称：

3-Bromo-4-chlorobenzaldehyde

分子式：

C₇H₄BrClO

分子量：

219.463060379028

3溴-4-氯苯甲醛(86265-88-5)名称与标识符

名称

中文别名：

3-溴-4-氯苯甲醛;3溴-4-氯苯甲醛;

英文别名：

3-Bromo-4-chlorobenzaldehyde;3-BROMO-4-CHLORO-BENZALDEHYDE;Benzaldehyde, 3-bromo-4-chloro-;PubChem7763;KSC447Q3J;AKDABJGHOOCVKX-UHFFFAOYSA-N;WT1682;LF10654;AS04969;AM62281;VZ26424;TRA0053073;3-Bromo-4-chlorobenzaldehyde, AldrichCPR;SY014684;BC003280;ST2410517;AB0030859;X3119;F;3-Bromo-4-chlorobenzaldehyde (ACI);3-Bromo-4-chlorobenzaldehyde;98%;EN300-119276;DTXSID20555082;SCHEMBL671268;AC-169414;MFCD08059100;Z1269163997;4-chloro-3-bromobenzaldehyde;AS-18887;CS-W005074;86265-88-5;AKOS015834635;DB-028387;

标识符

MDL：

MFCD08059100

InChIKey：

AKDABJGHOOCVKX-UHFFFAOYSA-N

Inchi：

1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

SMILES：

O=CC1C=C(Br)C(Cl)=CC=1

3溴-4-氯苯甲醛(86265-88-5)物化性质

实验特性

LogP : 2.91500
PSA : 17.07000
沸点 : 277.8±20.0 ºC (760 Torr),
熔点 : 70 ºC
蒸气压 : 0.0±0.6 mmHg at 25°C
闪点 : 121.8±21.8 ºC,
溶解度 : 几乎不溶 (0.079 g/L) (25 ºC),
颜色与性状 : No data avaiable
密度 : 1.698±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 217.91300
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 217.91341g/mol
重原子数量 : 10
复杂度 : 129
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） : 2.6
拓扑分子极性表面积 : 17.1

3溴-4-氯苯甲醛(86265-88-5)安全信息

安全说明： H303+H313+H333
危害声明：H315; H319; H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： Store at room temperature
信号词： Warning

3溴-4-氯苯甲醛(86265-88-5)海关数据

海关编码：

2913000090

海关数据：

中国海关编码：

2913000090

概述：

2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

3溴-4-氯苯甲醛(86265-88-5)推荐厂家更多厂家(33)

公司名称	手机号/电话	联系人	QQ	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
湖北诺纳科技有限公司	18995657604 027-59209883	吴经理	2933307129	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
湖北垚烁泉化工有限公司	18971238634	吴经理	2189484023	询单
武汉鑫伟烨化工有限公司	18502781673 027-18502781673	张经理	359501377	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单

3溴-4-氯苯甲醛(86265-88-5)合成路线

合成路线：1 步

77740-83-1

_82%

86265-88-5

反应条件：

1.1 Reagents: Hydrogen bromide Solvents: Water ; 0 °C
1.2 Reagents: Sodium nitrite Solvents: Water ; 0 °C; 30 min
1.3 Reagents: Copper bromide (CuBr) , Hydrogen bromide ; 23 °C
1.4 Solvents: Water ; 45 min, 60 °C

参考文献：

Synthesis and Structure-Activity Relationships of a Novel Series of 2,3,5,6,7,9-Hexahydrothieno[3,2-b]quinolin-8(4H)-one 1,1-Dioxide KATP Channel Openers: Discovery of (-)-(9S)-9-(3-Bromo-4-fluorophenyl)-2,3,5,6,7,9- hexahydrothieno[3,2-b]quinolin-8(4H)-one 1,1-Dioxide (A-278637), a Potent KATP Opener That Selectively Inhibits Spontaneous Bladder Contractions

Carroll, William A.; et al, Journal of Medicinal Chemistry, 2004, 47(12), 3163-3179

合成路线：1 步

64-18-6

31928-46-8

_58%

86265-88-5

反应条件：

1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dimethylformamide ; 2 h, rt
1.2 Reagents: Triethylamine Catalysts: Tris(dibenzylideneacetone)dipalladium ; 6 h, 70 °C

参考文献：

Use of Carbonyldiimidazole as an Activator of Formic Acid in a Tris(dibenzylideneacetone)dipalladium-Catalyzed Formylation of Aryl Iodides

Nadhagopal, Sundar; et al, Synlett, 2023, 34(15), 1809-1813

合成路线：2 步

16588-34-4

86265-88-5

反应条件：

1.1 Reagents: 4,4′-Bipyridinium, 1,1′-diheptyl-, bromide (1:2) Solvents: Water ; 23 °C; 23 °C → 5 °C
1.2 Reagents: Potassium carbonate , Sodium dithionite Solvents: Water ; 5 °C; 4 h, 23 °C
2.1 Reagents: Hydrogen bromide Solvents: Water ; 0 °C
2.2 Reagents: Sodium nitrite Solvents: Water ; 0 °C; 30 min
2.3 Reagents: Copper bromide (CuBr) , Hydrogen bromide ; 23 °C
2.4 Solvents: Water ; 45 min, 60 °C

参考文献：

Carroll, William A.; et al, Journal of Medicinal Chemistry, 2004, 47(12), 3163-3179

3溴-4-氯苯甲醛(86265-88-5)上下游

4-氯-3-硝基苯甲醛 3-溴-4-氯-n-甲氧基-n-甲基苯甲酰胺 4-(羟甲基)苯腈 3-氨基-4-氯苯甲醛

3溴-4-氯苯甲醛(86265-88-5)相关文献

1. Macrozamin. Part IV. Positional and geometrical isomerism in mixed aliphatic-aromatic azoxy-compounds
J. N. Brough,B. Lythgoe,P. Waterhouse J. Chem. Soc. 1954 4069

3溴-4-氯苯甲醛(86265-88-5) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 3-Bromo-4-chlorobenzaldehyde
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 3-Bromo-4-chlorobenzaldehyde
CAS number: 86265-88-5

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.
    Store in closed vessels.
    Storage:

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
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C7H4BrClO
    Molecular weight:        219.5

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

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