940-62-5 (反式-4-氯肉桂酸,(2E)-3-(4-chlorophenyl)prop-2-enoic acid)

CAS号:
940-62-5
中文名称:
反式-4-氯肉桂酸
英文名称:
(2E)-3-(4-chlorophenyl)prop-2-enoic acid
分子式:
C9H7ClO2
分子量:
182.60368180275
API:

反式-4-氯肉桂酸(940-62-5)名称与标识符

名称

中文别名:
对氯肉桂酸;反式-4-氯肉桂酸;
英文别名:
trans-4-Chlorocinnamic Acid;2-Propenoic acid,3-(4-chlorophenyl)-, (2E)-;4-CHLOROCINNAMIC ACID;Cinnamic acid, p-chloro-, trans-;trans-p-Chlorocinnamic acid;4-Chloro-trans-cinnamic acid;p-Chloro-trans-cinnamic acid;RARECHEM BK HC T318;(2E)-3-(4-Chlorophenyl)-2-propenoic acid (ACI);2-Propenoic acid, 3-(4-chlorophenyl)-, (E)- (ZCI);Cinnamic acid, p-chloro-, (E)- (8CI);(E)-3-(4-Chlorophenyl)-2-propenoic acid;(E)-3-(4-Chlorophenyl)acrylic acid;(E)-4-Chlorocinnamic acid;(E)-p-Chlorocinnamic acid;NSC 52172;trans-3-(4-Chlorophenyl)-2-propenoic acid;6J7K3LQS3P;(2E)-3-(4-Chlorophenyl)-2-propenoic acid;NS00079746;3-(4-Chlorophenyl)-2-propenoic acid;(2E)-3-(4-chlorophenyl)acrylic acid;NSC 2756;NSC-52172;W-107972;EN300-17694;MS-9830;(E)-3-(4-chlorophenyl)prop-2-enoic acid;940-62-5;NS00025265;AE-641/01605057;CHEBI:61116;3-(4-Chlorophenyl)propenoic acid;3-(4-chlorophenyl)acrylicacid;Z56989206;NSC1509;NSC 1509;AC-10322;(2E)-3-(4-chlorophenyl)prop-2-enoic acid;EINECS 213-373-1;(E)-3-(4-Chloro-phenyl)-acrylic acid;EINECS 216-564-8;HY-Y0729;ALBB-011722;p-Chlorocinnamic acid;(2E)-3-(4-Chlorophenyl)-2-propenoic Acid; NSC 52172;;2-Propenoic acid, 3-(4-chlorophenyl)-, (E)-;3-(p-Chlorophenyl)acrylic acid;CHEMBL327951;SR-01000597225-1;BCP21408;4-Chlorocinnamic acid, 99%;STK065389;DTXSID001275521;4-Chlorocinnamic Acid, Predominantly Trans;InChI=1/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3;AB00443734-03;NCGC00342159-01;Cinnamic acid, p-chloro-, (E)-;NSC52172;trans-3-(4-chloro-phenyl)-acrylic acid;EN300-364934;BDBM50486901;NSC2756;Cinnamic acid, p-chloro-;AKOS000119901;BBL036957;CCRIS 3779;IDI1_030035;AI3-16650;2-PROPENOIC ACID, 3-(4-CHLOROPHENYL)-, (2E)-;F0850-6846;3-(4-chlorophenyl)acrylic acid;NSC-1509;2-Propenoic acid, 3-(4-chlorophenyl)-;NSC-2756;CS-0015730;1615-02-7;trans-3-(4-Chlorophenyl)propenoic acid;MFCD00004396;SR-01000597225;HMS1513H03;E-3-(4-chlorophenyl)propenoic acid;s12285;(2E)-3-(4-Chlorophenyl)-2-propenoic acid #;Q27130822;WLN: QV1U1R DG;P-chloro cinnamic acid;LS-13584;

标识符

MDL:
N/A
InChIKey:
GXLIFJYFGMHYDY-ZZXKWVIFSA-N
Inchi:
1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
SMILES:
C(/C1C=CC(Cl)=CC=1)=C\C(=O)O

反式-4-氯肉桂酸(940-62-5)物化性质

实验特性

  • LogP : 2.43780
  • PSA : 37.30000
  • 折射率 : 1.5426 (estimate)
  • 沸点 : 260.71°C (rough estimate)
  • 熔点 : 248-250 °C(lit.)
  • 蒸气压 : No data available
  • 闪点 : No data available
  • 颜色与性状 : No data avaiable
  • 密度 : 1.2377 (rough estimate)

计算特性

  • 精确分子量 : 182.01300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 182.0134572g/mol
  • 重原子数量 : 12
  • 复杂度 : 181
  • 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 : 1
  • 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) : 2.4
  • 拓扑分子极性表面积 : 37.3Ų

反式-4-氯肉桂酸(940-62-5)推荐厂家 更多厂家(20)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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上海吉至生化科技有限公司 18117592386
021-57481218
吉至试剂 3007522982
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西安德而塔生物科技有限公司 18133906270
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张女士 2590956145
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上海吉至生化科技有限公司 18117592386
021-57481218
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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胡经理 2369399482
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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反式-4-氯肉桂酸(940-62-5)合成路线

合成路线:1 步
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参考文献:
Design, synthesis and antibacterial activity of cinnamaldehyde derivatives as inhibitors of the bacterial cell division protein FtsZ
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Phenylacrylamides as novel FtsZ-targeted potential antimicrobials
Li, Xin; Sheng, Juzheng; Song, Di; Guo, Liwei; Ma, Shutao, Letters in Drug Design & Discovery, 2015, 12(3), 234-240
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Yu, Han; Ru, Shi; Zhai, Yongyan; Dai, Guoyong; Han, Sheng; et al, ChemCatChem, 2018, 10(6), 1253-1257
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Fiorito, Serena; Taddeo, Vito Alessandro; Genovese, Salvatore; Epifano, Francesco, Tetrahedron Letters, 2016, 57(43), 4795-4798
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Yi, Wen-Bin; Yin, Ya-Qing; Cai, Chun, Organic Preparations and Procedures International, 2006, 39(1), 71-75
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参考文献:
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参考文献:
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合成路线:1 步
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参考文献:
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Mogilaiah, K.; Reddy, G. Randheer, Synthetic Communications, 2004, 34(2), 205-210
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合成路线:1 步
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参考文献:
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Yang, Shaoxiang; Kang, Tieniu; Rui, Changhui; Yang, Xinling; Sun, Yufeng; et al, Chinese Journal of Chemistry, 2011, 29(11), 2394-2400
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Seth, Anubhuti; Garg, Anita; Sharma, M. L., Journal of the Indian Chemical Society, 2011, 88(3), 405-414
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