876-27-7 (乙酸-4-氯苯酯,4-Chlorophenyl acetate)

CAS号:
876-27-7
中文名称:
乙酸-4-氯苯酯
英文名称:
4-Chlorophenyl acetate
分子式:
C8H7ClO2
分子量:
170.59298157692

乙酸-4-氯苯酯(876-27-7)名称与标识符

名称

中文别名:
4-氯酚乙酸酯;4-Chlorophenolacetate,certified 标准品;4-氯乙酸苯酯;乙酸-4-氯苯酯;
英文别名:
4-Chlorophenyl acetate;(4-chlorophenyl) acetate;Acetic acid, 4-chlorophenyl ester;4-Chlorophenol Acetate;4-Cl-C6H4OAc;4-Monochlorophenol acetate;Acetic acid,p-chlorophenyl ester;p-Acetoxychlorobenzene;p-Chlorophenylacetate;p-ClC6H4OAc;Phenol,p-chloro-,acetate;Acetic acid, p-chlorophenyl ester (7CI, 8CI);Phenol, p-chloro-, acetate (6CI);1-Acetoxy-4-chlorobenzene;4-Acetoxychlorobenzene;4-Acetoxyphenyl chloride;NSC 48669;p-Chlorophenyl acetate;FS-4498;SCHEMBL76135;Chlorophenyl acetate, p-;Acetic acid, 4-chlorophenyl ester (9CI);Acetic acid, p-chlorophenyl ester;257V876587;4-Chlorobenzeneacetate;4-06-00-00839 (Beilstein Handbook Reference);CS-0197466;CHEMBL449814;NSC48669;AI3-17300;4-Chlorophenyl Ester Acetic Acid;AB06566;MFCD00623648;NSC-48669;BRN 1909058;DTXCID40158993;Phenol, p-chloro-, acetate;WLN: GR DOV1;p-Chlorfenylester kyseliny octove;p-Chlorfenylester kyseliny octove [Czech];A51155;UNII-257V876587;(p-chlorophenyl)acetate;AKOS006241574;Q63409262;876-27-7;DTXSID80236502;

标识符

MDL:
MFCD00623648
InChIKey:
KEUPLGRNURQXAR-UHFFFAOYSA-N
Inchi:
1S/C8H7ClO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
SMILES:
O=C(C)OC1C=CC(Cl)=CC=1

乙酸-4-氯苯酯(876-27-7)物化性质

实验特性

  • LogP : 2.26530
  • PSA : 26.30000
  • 折射率 : 1.523
  • 沸点 : 231.6°Cat760mmHg
  • 闪点 : 106.3°C
  • 密度 : 1.227

计算特性

  • 精确分子量 : 170.01300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 170.013
  • 重原子数量 : 11
  • 复杂度 : 139
  • 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) : 1.8
  • 拓扑分子极性表面积 : 26.3A^2

乙酸-4-氯苯酯(876-27-7)海关数据

海关编码:
2915390090
海关数据:

中国海关编码:

2915390090

概述:

2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

乙酸-4-氯苯酯(876-27-7)推荐厂家 更多厂家(9)

公司名称手机号/电话联系人QQ微信询单
上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
询单
上海绩祥生物科技有限公司 13093077543陆经理 3985448220
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
深圳市瑞吉特生物科技有限公司 15813841136
0755-89459231
钦先生 1029374309
询单
上海赛可锐生物科技有限公司 13003271654
021-58000709
赛可锐生物 3004122151
询单
广东翁江化学试剂有限公司 13927875076
0751-2815987
罗雪云 3007432263
询单
江苏艾康生物医药研发有限公司 18795912720
025-66061636
杨情情 3004779232
询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单

乙酸-4-氯苯酯(876-27-7)合成路线

合成路线:1 步
反应条件:
参考文献:
New porphyrin-polyoxometalate hybrid materials: synthesis, characterization and investigation of catalytic activity in acetylation reactions
Araghi, Mehdi; et al, Dalton Transactions, 2012, 41(38), 11745-11752
合成路线:1 步
反应条件:
参考文献:
Electron-deficient [TiIV(salophen)(OTf)2]: A new and highly efficient catalyst for the acetylation of alcohols and phenols with acetic anhydride
Yadegari, Maryam; et al, Polyhedron, 2011, 30(13), 2237-2243
合成路线:1 步
反应条件:
参考文献:
Polystyrene-bound electron-deficient tin(IV) porphyrin: A new, highly efficient, robust and reusable catalyst for acetylation of alcohols and phenols with acetic anhydride
Moghadam, Majid; et al, Comptes Rendus Chimie, 2011, 14(12), 1080-1087
合成路线:1 步
反应条件:
参考文献:
TiO2, a simple and an efficient catalyst for esterification of phenols under solvent-free condition
Pasha, Mohamed Afzal; et al, Indian Journal of Chemistry, 2008, (4), 597-600
合成路线:1 步
反应条件:
参考文献:
NIS/TBHP Induced Regioselective Selenation of (Hetero)Arenes via Direct C-H Functionalization
Ding, Chaochao; et al, ChemCatChem, 2018, 10(23), 5397-5401
合成路线:1 步
反应条件:
参考文献:
Synthesis and anti-inflammatory activity of 2-oxo-2H-chromenyl and 2H-chromenyl-5-oxo-2,5-dihydrofuran-3-carboxylates
Kurma, Siva Hariprasad; et al, Bioorganic & Medicinal Chemistry Letters, 2020, 30(16),
合成路线:1 步
反应条件:
参考文献:
Palladium-Catalyzed Desilylative Acyloxylation of Silicon-Carbon Bonds on (Trimethylsilyl)arenes: Synthesis of Phenol Derivatives from Trimethylsilylarenes
Gondo, Keisuke; et al, Organic Letters, 2015, 17(19), 4778-4781
合成路线:1 步
反应条件:
参考文献:
Characterization of novel Cs and K substituted phosphotungstic acid modified MCM-41 catalyst and its catalytic activity towards acetylation of aromatic alcohols
Rana, Surjyakanta; et al, Journal of Chemical Sciences (Bangalore, 2012, 124(5), 1117-1125
合成路线:1 步
反应条件:
参考文献:
The first vinyl acetate mediated organocatalytic transesterification of phenols: a step towards sustainability
Kumar, Manoj; et al, New Journal of Chemistry, 2015, 39(11), 8329-8336
合成路线:1 步
反应条件:
参考文献:
Efficient method for oxidation of ketones to esters with 4-aminoperoxybenzoic acid supported on silica gel
Ghazanfari, Dadkhoda; et al, Synthetic Communications, 2008, 38(12), 2037-2042
合成路线:1 步
反应条件:
参考文献:
Monoperoxyphosphoric acid
Rao, A. Somasekar; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1,
合成路线:1 步
反应条件:
参考文献:
The Baeyer-Villiger oxidation of ketones and aldehydes
Krow, Grant R., Organic Reactions (Hoboken, 1993, 43,
合成路线:1 步
反应条件:
参考文献:
Highly efficient Sandmeyer reaction on immobilized CuI/CuII-based catalysts
Tarkhanova, Irina G.; et al, Mendeleev Communications, 2018, 28(3), 261-263
合成路线:1 步
反应条件:
参考文献:
A highly efficient heterogeneous copper-catalyzed chlorodeboronation of arylboronic acids leading to chlorinated arenes
He, Wen; et al, RSC Advances, 2017, 7(2), 764-770
合成路线:1 步
反应条件:
参考文献:
Copper-Catalyzed Chlorination of Functionalized Arylboronic Acids
Wu, Hong; et al, Organic Letters, 2010, 12(6), 1192-1195
合成路线:1 步
反应条件:
参考文献:
Environmentally benign decarboxylative N-, O-, and S-acetylations and acylations
Ghosh, Santanu; et al, Green Chemistry, 2020, 22(24), 8721-8727
合成路线:1 步
反应条件:
参考文献:
Environmentally benign decarboxylative N-, O-, and S-acetylations and acylations
Ghosh, Santanu; et al, Green Chemistry, 2020, 22(24), 8721-8727
合成路线:1 步
反应条件:
参考文献:
Counterattack Mode Differential Acetylative Deprotection of Phenylmethyl Ethers: Applications to Solid Phase Organic Reactions
Chakraborti, Asit K.; et al, Journal of Organic Chemistry, 2009, 74(3), 1367-1370
合成路线:1 步
反应条件:
参考文献:
Efficient and selective conversion of trimethylsilyl and tetrahydropyranyl ethers to their corresponding acetates and benzoates catalyzed by bismuth(III) salts
Mohammadpoor-Baltork, Iraj; et al, Monatshefte fuer Chemie, 2002, 133(2), 189-193
合成路线:1 步
反应条件:
参考文献:
Polyvinylpolypyrrolidone-bound boron trifluoride: A highly efficient catalyst for acylation of alcohols, phenols and trimethylsilyl ethers by acetic anhydride
Mokhtary, Masoud; et al, Comptes Rendus Chimie, 2012, 15(5), 389-393
合成路线:1 步
反应条件:
参考文献:
An efficient and convenient method for desilylation-acetylation of trimethylsilyl ethers catalyzed by silica sulfuric acid
Jin, Tong-Shou; et al, Asian Journal of Chemistry, 2008, 20(7), 5005-5010
合成路线:1 步
反应条件:
参考文献:
An atom-efficient and powerful method for direct esterification of silyl ethers catalyzed by HClO4-SiO2
Du, Ti-Jian; et al, Tetrahedron, 2011, 67(6), 1096-1101
合成路线:1 步
反应条件:
参考文献:
Copper Catalyzed sp3 C-H Etherification with Acyl Protected Phenols
Salvador, Tolani K.; et al, Journal of the American Chemical Society, 2016, 138(51), 16580-16583
合成路线:1 步
反应条件:
参考文献:
Polyvinylpyrrolidone-supported zirconium nanoparticles: synthesis, characterization, efficiency as a new polymer nanocomposite catalyst for one-step transesterification reaction
Azadi, Sedigheh; et al, Monatshefte fuer Chemie, 2023, 154(2), 239-248
合成路线:1 步
反应条件:
参考文献:
An efficient method to prepare aryl acetates by the carbonylation of aryl methyl ethers or phenols
Zhang, Dejin; et al, New Journal of Chemistry, 2021, 45(5), 2683-2687
合成路线:1 步
反应条件:
参考文献:
Novel acylation of alcohols, phenols and amines with diacetoxyiodobenzene in the presence of iodine and triphenylphosphine
Zhou, Qi-Zhong; et al, Youji Huaxue, 2008, 28(6), 1097-1101