85-43-8 (1,2,3,6-四氢苯酐,1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione)

CAS号:
85-43-8
中文名称:
1,2,3,6-四氢苯酐
英文名称:
1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
分子式:
C8H8O3
分子量:
152.147322654724

1,2,3,6-四氢苯酐(85-43-8)名称与标识符

名称

中文别名:
1,2,3,6-四氢苯酐;四氢化邻苯二甲酸酐;1,2,3,6-四氢邻苯二甲酸酐;顺-1,2,3,6-四氢苯酐;顺-1,2,3,6-四氢邻苯二甲酸酐;四氢苯酐;四氢酞;四氢邻苯二甲酸酐;
英文别名:
3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione;CIS-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE;1,2,3,6-Tetrahydrophthalic acid anhydride;1,2,3,6-Tetrahydrophthalic Anhydride;Tetrahydrophthalic anhydride;THPA;Rikacid TH;1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-;Tetrahydroftalanhydrid;Memtetrahydro phtalic anhydride;Tetrahydrophthalic acid anhydride;Butadiene-maleic anhydride adduct;4-Cyclohexene-1,2-dicarboxylic acid anhydride;4-Cyclohexene-1,2-dicarboxylic anhydride;Maleic anhydride adduct of butadiene;Anhydrid kyseliny tetrahydroftalove;1,3-Isobenzofurandione, tetrahydro-;Tetrahydroftalanhydr;.delta.-(sup4)-Tetrahydrophthalic anhydride;Tetrahydrophthalsaeureanhydrid;Delta 4-Tetrahydrophthalic anhydride;Tetrahydrophthalic Anhydride(THPA);3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione;3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione;4-Cyclohexene-1 2-dicarboxylic anhydride (8CI);HSDB 846;Epiclon B 570H;1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione;Anhydrid kyseliny tetrahydroftalove [Czech];1 2 3 6-Tetrahydrophthalic anhydride;4,7,3a,7a-tetrahydroisobenzofuran-1,3-dione;D77853;F0001-2250;85-43-8;NCGC00259759-01;FT-0623919;3a,4,7,7a-Tetrahydro-isobenzofuran-1,3-dione;3a 4 7 7a-Tetrahydro-1 3-isobenzofurandione;NSC292900;Rikacid THPA;BRN 0082340;NSC82642;NSC-292900;DTXCID306516;Phthalic anhydride, 1,2,3,6-tetrahydro-;AC-19634;HK 019;NSC-82642;trans-1,3,6-Tetrahydrophthalic anhydride;.DELTA.4-Tetrahydrophthalic anhydride;Tetrahydroftalanhydrid [Czech];EINECS 201-605-4;EINECS 247-570-9;LS-166032;Cyclohex-4-en-1,2-dicarboxylic acid anhydride;1, 3a,4,7,7a-tetrahydro-;Q26840954;1,3-isobenzofurandiona, 3a, 4,7,7 a-tetrahidro-;SCHEMBL169100;BBL011743;Tox21_202210;4-Cyclohexene-1, trans-;CS-W019332;MFCD00065335;CHEMBL8001;5-17-11-00134 (Beilstein Handbook Reference);CHEBI:180650;WLN: T56 BVOV GUTJ;4-Cyclohexene-12-dicarboxylic anhydride (8CI);KBH 1098;1,3,6-Tetrahydrophthalic anhydride;AB-131/40207535;STL163382;EC 201-605-4;cis-DELTA4-Tetrahydrophthalic Anhydride;.delta.-4-Tetrahydrophthalic anhydride;delta-(sup4)-Tetrahydrophthalic anhydride;CAS-85-43-8;3a,4,7,7a-tetrahydro-1,3-isobenzofurandione;NSC 82642;Q-201815;AI3-22626;AKOS000119224;Cyclohexene-4 5-dicarboxylic anhydride;UN 2698 (Salt/Mix);Phthalic anhydride,2,3,6-tetrahydro-;1 2 3 6-Tetrahydrophthalic acid anhydride;delta(4)-Tetrahydrophthalic anhydride;B 570H;delta(sup 4)-Tetrahydrophthalic anhydride;NCIOpen2_001003;1236-Tetrahydrophthalic acid anhydride;3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;FT-0631398;EN300-18012;26266-63-7;1,3,6-Tetrahydrophthalic acid anhydride;1, 3a,4,7,7a-tetrahydro-, trans-;4-Cyclohexene-1 2-dicarboxylic acid anhydride;3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione #;NCGC00249188-01;LS-57502;FT-0675042;DTXSID3026516;3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione (ACI);4-Cyclohexene-1,2-dicarboxylic anhydride (8CI);1,3-Isobenzofurandione, hexahydro-5-methylene-;Anhydride 70;Cyclohexene-4,5-dicarboxylic anhydride;Hexahydro-5-methylene-1,3-isobenzofurandione;Maleic anhydride-butadiene adduct;Tetrahydroisobenzofuran-1,3-dione;Δ4-Tetrahydrophthalic anhydride;AKOS016352935;(3aR,7aS)-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione;(3Ar,7ar)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione;NS00008366;DB-050508;DB-057412;

标识符

MDL:
MFCD00005916
InChIKey:
KMOUUZVZFBCRAM-UHFFFAOYSA-N
Inchi:
1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
SMILES:
O=C1C2C(CC=CC2)C(=O)O1

1,2,3,6-四氢苯酐(85-43-8)物化性质

实验特性

  • LogP : 0.65220
  • PSA : 43.37000
  • 折射率 : 1.4810 (estimate)
  • 沸点 : 195°C 5mm
  • 熔点 : 101-102°C
  • 闪点 : 157°C
  • 颜色与性状 : 本品为白色结晶
  • 溶解性 : 可溶于一般溶剂,微溶于石油醚
  • 密度 : 1,375 g/cm3

计算特性

  • 精确分子量 : 152.04700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 152.047
  • 重原子数量 : 11
  • 复杂度 : 218
  • 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 : 2
  • 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) : 0.8
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 43.4

1,2,3,6-四氢苯酐(85-43-8)安全信息

1,2,3,6-四氢苯酐(85-43-8)国际标准相关数据

EINECS:
82642

1,2,3,6-四氢苯酐(85-43-8)推荐厂家 更多厂家(76)

1,2,3,6-四氢苯酐(85-43-8)合成路线

合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Synthesis of 4-chlorophthalic anhydride with D-A cyclization and aromatization
Sun, Yifei; et al, Huagong Jinzhan, 2010, 29(10), 1963-1968
合成路线:1 步
反应条件:
参考文献:
Heterogeneous catalysts for the cyclization of dicarboxylic acids to cyclic anhydrides as monomers for bioplastic production
Rashed, N. Md.; et al, Green Chemistry, 2017, 19(14), 3238-3242
合成路线:2 步
反应条件:
参考文献:
Preparation butanetetracarboxylic acid
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Synthetic approach to cis and trans-decalins via Diels-Alder reaction and ring-closing metathesis as key steps: further extension to dioxapropellane derivative by ring-closing metathesis
Kotha, Sambasivarao; et al, Tetrahedron, 2011, 67(2), 501-504
合成路线:1 步
反应条件:
参考文献:
Synthesis and optical properties of some isoindole-1,3-dione compounds: optical band gap, refractive index and absorbance band edge
Tan, Ayse; et al, Organic Communications, 2018, 11(4), 173-180
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:2 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:2 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:1 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627
合成路线:2 步
反应条件:
参考文献:
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

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