4,4'-二氯-α-甲基二苯基甲醇

  • ≥96%
  • CAS编号: 80-06-8
  • 分子式: C14H12Cl2O
  • 分子量: 267.15
  • PubChem编号: 6624
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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
D154165-1g
1g 现货 Stock Image
D154165-5g
5g 现货 Stock Image
D154165-25g
25g 现货 Stock Image
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苯环化合物 (105)

基本描述

别名 1,1-双(4-氯苯基)乙醇
英文别名 Dimit | DIMITE | DCPC | 1,1-Bis(p-chorophenyl)ethanol | Di(p-chlorophenyl)ethanol | 1,1-Bis(4-chlorophenyl)ethanol | Dichlorodiphenylethanol | Chlorfenethol | Qikron | BCPE | Mikazene | BCPE (pesticide) | DCPE | 4,4'-Dichloro-alpha-methylbenzhydrol | Mica
规格或纯度 ≥96%
英文名称 4,4'-Dichloro-α-methylbenzhydrol
储存温度 2-8°C储存
运输条件 冰袋运输

关联靶点(人)

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

Rorc Nuclear receptor ROR-gamma (89407 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IUPAC Name 1,1-bis(4-chlorophenyl)ethanol
INCHI InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3
InChi Key URYAFVKLYSEINW-UHFFFAOYSA-N
Canonical SMILES CC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
Isomeric SMILES CC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
分子量 267.15
Reaxy-Rn 2505345
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2505345&ln=

化学和物理性质

敏感性 对热敏感
熔点 70℃
分子量 267.100 g/mol
XLogP3 2.800
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 1
可旋转键计数Rotatable Bond Count 2
精确质量Exact Mass 266.027 Da
单同位素质量Monoisotopic Mass 266.027 Da
拓扑极表面积Topological Polar Surface Area 20.200 Ų
重原子数Heavy Atom Count 17
形式电荷Formal Charge 0
复杂度Complexity 219.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

象形图 GHS09,   GHS07
信号词 Warning
危险声明

H411: 对水生生物有毒并具有长期持续影响

H302: 吞食有害

预防措施声明

P273: 避免释放到环境中。

P501: 将内容物/容器处理到。。。

P264: 处理后要彻底洗手。

P270: 使用本产品时,请勿进食、饮水或吸烟。

P391: 收集溢出物

P330: 漱口

P301+P317: 如果被吞咽:请寻求医疗帮助。

Reaxy-Rn 2505345
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2505345&ln=

技术规格说明书

Proton NMR spectrum Conforms to Structure
Appearance(D154165) White to Orange to Green powder to crystal
GC-MS for identification Conforms
Purity(HPLC area) 96-100(%)

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
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找到6个结果

批号(Lot Number) 证书类型 日期 货号
I2410515 分析证书 24-08-12 D154165
I2410519 分析证书 24-08-12 D154165
I2410521 分析证书 24-08-12 D154165
I2410522 分析证书 24-08-12 D154165
I2410523 分析证书 24-08-12 D154165
I2410528 分析证书 24-08-12 D154165

此产品的引用文献

1. Jiajia Sun, Liqiang Liu, Shanshan Song, Gang Cui, Hua Kuang.  (2018)  Development of an immunochromatographic strip assay for three major capsaicinoids based on an ultrasensitive monoclonal antibody.  FOOD AND AGRICULTURAL IMMUNOLOGY,  [10.1080/09540105.2018.1490394]
2. Kunying Nie, Jiali Zhang, Haitao Xu, Keyun Ren, Chunlei Yu, Qi Zhang, Falan Li, Qingqing Yang.  (2024)  Reverse design of haptens based on antigen spatial conformation to prepare anti-capsaicinoids&gingerols antibodies for monitoring of gutter cooking oil.  Food Chemistry-X,  22  (101273).  [PMID:38524780] [10.1016/j.fochx.2024.101273]

参考文献

1. Jiajia Sun, Liqiang Liu, Shanshan Song, Gang Cui, Hua Kuang.  (2018)  Development of an immunochromatographic strip assay for three major capsaicinoids based on an ultrasensitive monoclonal antibody.  FOOD AND AGRICULTURAL IMMUNOLOGY,  [10.1080/09540105.2018.1490394]
2. Kunying Nie, Jiali Zhang, Haitao Xu, Keyun Ren, Chunlei Yu, Qi Zhang, Falan Li, Qingqing Yang.  (2024)  Reverse design of haptens based on antigen spatial conformation to prepare anti-capsaicinoids&gingerols antibodies for monitoring of gutter cooking oil.  Food Chemistry-X,  22  (101273).  [PMID:38524780] [10.1016/j.fochx.2024.101273]

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