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2-hydroxy-benzoic acid, pentachlorophenyl ester | 36994-69-1

中文名称
——
中文别名
——
英文名称
2-hydroxy-benzoic acid, pentachlorophenyl ester
英文别名
Pentachlorophenyl salicylate;(2,3,4,5,6-pentachlorophenyl) 2-hydroxybenzoate
2-hydroxy-benzoic acid, pentachlorophenyl ester化学式
CAS
36994-69-1
化学式
C13H5Cl5O3
mdl
——
分子量
386.446
InChiKey
ZMZPNTFEPFRJHW-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    7
  • 重原子数:
    21
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    46.5
  • 氢给体数:
    1
  • 氢受体数:
    3

文献信息

  • NEAR-INFRARED-ABSORBING MATERIAL AND NEAR-INFRARED-ABSORBING FILTER
    申请人:KIMURA Keizo
    公开号:US20080073626A1
    公开(公告)日:2008-03-27
    The invention provides a near-infrared-absorbing material comprising at least one first compound selected from the group consisting of a singlet oxygen scavenger, a radical trapping agent and an antioxidant and at least one second compound represented by the following formula (II-1) or (II-2).
  • Near infrared ray absorbing material and near infrared ray absorbing filter
    申请人:Kimura Keizo
    公开号:US20080169453A1
    公开(公告)日:2008-07-17
    According to the present invention, there is provided a near infrared ray absorbing material comprising at least a first compound having a spectral absorption maximum wavelength of 470 nm or less in a range of 270 to 1600 nm in solution, and a second compound represented by the following formula (II-1) or (II-2). where in the formulas, R 201 , R 202 , R 211 , R 212 , R 221 , and R 222 each represent, independently, a hydrogen atom, an aliphatic group, an aromatic group, or a heterocyclic group linked via a carbon atom; Z 201 and Z 202 represent a nonmetal atomic group necessary for forming a nitrogen-containing heterocycle; R 213 to R 216 and R 223 to R 226 represent a hydrogen atom or a substituent.
  • NEAR-INFRARED-ABSORBING MATERIAL
    申请人:Kimura Keizo
    公开号:US20090162541A1
    公开(公告)日:2009-06-25
    The invention provides a near-infrared-absorbing material, comprising: at least two compounds having a maximum spectroscopic absorption wavelength in solution of 470 nm or less in a wavelength range of 270 to 1,600 nm; and a near-infrared-absorbing colorant compound obtained by oxidation of a compound represented by Formula (II): wherein, in Formula (II), R 211 , R 212 , R 221 , R 222 , R 231 , R 232 , R 241 and R 242 each independently represent a hydrogen atom or an aliphatic or aromatic group; R 203 , R 213 , R 223 , R 233 and R 243 each independently represent a substituent group; and n 203 , n 213 , n 223 , n 233 and n 243 each independently represent an integer of 0 to 4.
  • NEAR-INFRARED ABSORBING MATERIAL
    申请人:Kimura Keizo
    公开号:US20100224839A1
    公开(公告)日:2010-09-09
    The invention provides a near-infrared absorbing material, including: at least one of at least one singlet oxygen scavengers, at least one radical scavenger, and at least one antioxidant; and at least one near-infrared absorbing compound obtained by oxidation of a compound represented by the following Formula (II). In the formula, R 211 , R 212 , R 221 , R 222 , R 231 , R 232 , R 241 and R 242 independently represent a hydrogen atom or an aliphatic or aromatic group; R 203 , R 213 , R 223 , R 233 and R 243 independently represent a substituent; and n 203 , n 213 , n 223 , n 233 and n 243 independently represent an integer of 0 to 4.
  • US7875215B2
    申请人:——
    公开号:US7875215B2
    公开(公告)日:2011-01-25
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

棓酰棓酸三油酸酯 非那米柳 雷尼替丁 降钙素(humanreduced),8-L-缬氨酸-(9CI) 间苯甲酰氧基苯乙酮 间苯二甲酸二苯酯 间甲苯基苯甲酸酯 间双没食子酸 醋氨沙洛 邻苯二甲酸苄酯2-乙己基酯 邻苯二甲酸二苯酯 邻甲苯基苯甲酸酯 邻氨基苯甲酸(4-硝基苯基)酯 邻亚苯基二苯甲酸酯 贝诺酯 袋衣酸 萘-1,5-二磺酸-4-[2-(二甲氨基)乙氧基]-2-甲基-5-(丙烷-2-基)苯基2-氨基苯酸酯(1:1) 茶痂衣酸 苯甲醯柳酸甲酯 苯甲酸苯酯 苯甲酸五氟苯酯 苯甲酸丁香酚酯 苯甲酸4-[[(4-甲氧基苯基)亚甲基]氨基]苯基酯 苯甲酸4-(乙酰氨基)-2-[[2-[4-(乙酰氨基)苯甲酰基]亚肼基]甲基]苯基酯 苯甲酸2-(2-苯并恶唑基)苯酯 苯甲酸-4-甲基苯酯 苯甲酸-(2,4-二溴-3-甲基-苯基酯) 苯甲酸-(2,4-二叔丁基苯基酯) 苯甲酸,4-羟基-,4-(己氧基)苯基酯 苯甲酸,4-羟基-,4-(十二烷氧基)苯基酯 苯甲酸,4-甲氧基-,2-甲酰基苯基酯 苯甲酸,4-甲基-,4-甲基苯基酯 苯甲酸,4-戊基-,4-(壬氧基)苯基酯 苯甲酸,4-丁氧基-,1,4-亚苯基酯 苯甲酸,4-[1-(己氧基)乙基]-,4-(辛氧基)苯基酯 苯甲酸,4-(苯基甲氧基)-,4-(癸氧基)苯基酯 苯甲酸,4-(癸氧基)-,4-[氰基[(1-羰基戊基)氧代]甲基]苯基酯,(R)- 苯甲酸,4-(癸氧基)-,4-[(4-甲基己基)氧代]苯基酯 苯甲酸,4-(癸氧基)-,4-(2-甲基丁基)苯基酯 苯甲酸,4-(己氧基)-,1,4-亚苯基酯 苯甲酸,3-[[4-(1,1-二甲基乙基)苯甲酰]氧代]-4-甲基-,甲基酯 苯甲酸,3,4-二(癸氧基)-,4-[(苯基甲氧基)羰基]苯基酯 苯甲酸,2-庚基-4-[(2-羟基-4-甲氧基-6-戊基苯甲酰)氧代]-6-甲氧基-,苯基甲基酯 苯甲酸,2,4,6-三甲基-,2,4,6-三甲苯基酯 苯甲酸,2,3-二甲基-,2-硝基苯基酯 苯甲酸,(2-乙氧基-4-甲酰)苯酯 苯甲酰氧基苯甲酸苄酯 苯扎贝特杂质1 苯并呋喃-2-羧酸苯胺 苯并[b][1,5]苯并二氧杂卓-6-酮