13631-21-5 (4-溴-3-氯酚,4-Bromo-3-chlorophenol)

快速询单

结构式：

4-溴-3-氯酚MOL文件

CAS号：

13631-21-5

中文名称：

4-溴-3-氯酚

英文名称：

4-Bromo-3-chlorophenol

安全信息：

分子式：

C₆H₄BrClO

分子量：

207.452360153198

4-溴-3-氯酚(13631-21-5)名称与标识符

名称

中文别名：

4-溴-3-氯酚;4-溴-3-氯苯酚;3-氯-4-溴苯酚;4-溴-3-氯苯酚 5G;4-溴-3-氯苯酚,98%;

英文别名：

4-Bromo-3-chlorophenol;Phenol,4-bromo-3-chloro-;2-Chloro-4-hydroxybromobenzene;Phenol, 4-bromo-3-chloro-;3-chloro-4-bromophenol;PubChem3597;4-bromo-3-chloro-phenol;KSC493I5N;4-bromanyl-3-chloranyl-phenol;FQEYHIPPYOSPLF-UHFFFAOYSA-N;AM734;WT514;BCP05734;CL8500;BBL102205;4-Bromo-3-chlorophenol, AldrichCPR;STL556004;FC1193;LS10343;RP26343;TRA0010209;CS-W0;CS-W007870;EN300-115223;DTXSID70426955;AKOS015835305;PS-8060;SCHEMBL177738;J-514715;A807060;AC-16319;MFCD00070744;13631-21-5;FT-0617815;SY001199;B5816;DTXCID00377789;DB-011300;

标识符

MDL：

MFCD00070744

InChIKey：

FQEYHIPPYOSPLF-UHFFFAOYSA-N

Inchi：

1S/C6H4BrClO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

SMILES：

BrC1C=CC(=CC=1Cl)O

BRN：

3236445

4-溴-3-氯酚(13631-21-5)物化性质

实验特性

LogP : 2.80810
PSA : 20.23000
折射率 : 1.619
水溶性 : Slightly soluble in water.
沸点 : 267°C at 760 mmHg
熔点 : 66.0 to 70.0 deg-C
闪点 : 115.6℃
颜色与性状 : 未确定
溶解性 : 未确定
密度 : 1.788

计算特性

精确分子量 : 205.91300
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 205.91341g/mol
重原子数量 : 9
复杂度 : 99.1
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） : 3.4
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 20.2

4-溴-3-氯酚(13631-21-5)安全信息

4-溴-3-氯酚(13631-21-5)国际标准相关数据

EINECS：

MFCD00070744

4-溴-3-氯酚(13631-21-5)海关数据

海关编码：

2908199090

海关数据：

中国海关编码：

2908199090

概述：

HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐增值税率: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: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

4-溴-3-氯酚(13631-21-5)推荐厂家更多厂家(40)

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上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
山东玖玥生物科技有限公司	15553333686	张文杰	643971	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
湖北诺纳科技有限公司	18995657604 027-59209883	吴经理	2933307129	询单
南通润丰石油化工有限公司	19952847550 0513-66017696	曹海燕	2143087160	询单
江苏润丰合成科技有限公司	18662931390 0513-66017679	蔡经理	507167383	询单
江苏雷恩环保科技有限公司	18662920632 0513-66017275	费小姐	3485543679	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
湖北云镁科技有限公司	18327059871 027-59206672	方经理	235010015	询单

4-溴-3-氯酚(13631-21-5)合成路线

合成路线：1 步

_56%

反应条件：

1.1 Reagents: Carbon tetrachloride , Bromine Solvents: Methanol ; 5 h, rt

参考文献：

Regioselective monobromination of substituted phenols in the presence of β-cyclodextrin

Suresh, Palaniswamy; et al, Tetrahedron, 2007, 63(23), 4959-4967

合成路线：1 步

_97%

反应条件：

1.1 Reagents: β-Cyclodextrin , Bromine Solvents: Carbon tetrachloride ; 2 h, rt

参考文献：

Regioselective monobromination of substituted phenols in the presence of β-cyclodextrin

Suresh, Palaniswamy; et al, Tetrahedron, 2007, 63(23), 4959-4967

4-溴-3-氯酚(13631-21-5)上下游

4-溴-3-氯苯甲醚间氯苯酚

4-溴-3-氯酚(13631-21-5)相关文献

1. Halogen bonding in polymer science: from crystal engineering to functional supramolecular polymers and materials
Gilles Berger,Jalal Soubhye,Franck Meyer Polym. Chem. 2015 6 3559
2. Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals
Michael J. Turner,Sajesh P. Thomas,Ming W. Shi,Dylan Jayatilaka,Mark A. Spackman Chem. Commun. 2015 51 3735
3. Elastic anisotropy of mechanically responsive molecular solids
Dherya Bahl,Beth A. Young,Lewis L. Stevens CrystEngComm 2021 23 5805

4-溴-3-氯酚(13631-21-5)参考资料

Reaxys RN：

3236445

Beilstein：

3236445

PubChem CID：

7018182

4-溴-3-氯酚(13631-21-5) MSDS

基础信息

Material Safety Data Sheet

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

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed
    H312:        Harmful in contact with skin
    H315:        Causes skin irritation
    H319:        Causes serious eye irritation
    H335:        May cause respiratory irritation
    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-Bromo-3-chlorophenol
CAS number: 13631-21-5

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.
    Storage:        Store in closed vessels.

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: C6H4BrClO
    Molecular weight: 207.5

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