Lot numbers can be found on the outside label of a product:
Aniline mustard
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CAS No. 553-27-5
- Cat. No. CS-0083103
- Purity≥98%
- MDL No.MFCD00013689
*For research and further manufacturing use only, not for direct human use.
Structure of 553-27-5
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General Information
- CAS No. 553-27-5
- Cat. No. CS-0083103
- Purity ≥98%
- MDL No. MFCD00013689
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃Cl₂N
- Molecular Weight 218.12
- Synonym(s) N,N-Bis(2-chloroethyl)aniline
- SMILES ClCCN(C1=CC=CC=C1)CCCl
Description
Aniline mustard delivers a potent alkylating capability through its bis(2-chloroethyl)amine functionality, enabling efficient conjugation in bioconjugation workflows. The aniline group enhances solubility and modulates reactivity, offering improved handling over traditional mustard agents. This compound serves as a critical linker for site-specific protein modification and targeted drug delivery systems.
Application
Aniline mustard serves as a versatile bifunctional alkylating agent, enabling efficient synthesis of covalent inhibitors and DNA cross-linking agents. Its reactive mustard functionality facilitates site-specific modification under physiological conditions, while the aniline moiety enhances solubility and provides a handle for further derivatization. The compound exhibits sufficient bench stability for routine handling and is widely employed in medicinal chemistry workflows targeting nucleophilic biomolecules.
Synthesis
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Route1
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22964-38-1 - ~71%
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In-stock
553-27-5
References
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Lin, Song-Wen; Sun, Qi; Ge, Ze-Mei; Wang, Xin; Ye, Jia; Li, Run-Tao Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 3 p. 940 - 943
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Route2
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In-stock
120-07-0 - ~91%
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In-stock
553-27-5
References
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Chen, Cheng; Wang, Ruyong; Guo, Liangqia; Fu, Nanyan; Dong, Haijun; Yuan, Yaofeng Organic Letters, 2011 , vol. 13, # 5 p. 1162 - 1165
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Route3
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91-66-7
- ~%
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In-stock
553-27-5
References
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EP1679069 A1, ; Page/Page column 41 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H314
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Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 3.24
- LogP 2.9706
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 5
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