Lot numbers can be found on the outside label of a product:
2-Chloro-4-methylbenzaldehyde
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CAS No. 50817-80-6
- Cat. No. CS-W010930
- Purity≥98%
- MDL No.MFCD10703515
*For research and further manufacturing use only, not for direct human use.
Structure of 50817-80-6
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General Information
- CAS No. 50817-80-6
- Cat. No. CS-W010930
- Purity ≥98%
- MDL No. MFCD10703515
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇ClO
- Molecular Weight 154.59
- Synonym(s) benzaldehyde, 2-chloro-4-methyl-
- SMILES O=CC1=CC=C(C)C=C1Cl
Description
2-Chloro-4-methylbenzaldehyde features a chlorinated aromatic ring paired with a methyl group and aldehyde functionality, enabling direct integration into Suzuki-Miyaura couplings and other cross-coupling reactions. This electron-deficient benzaldehyde offers enhanced reactivity and stability under standard conditions.
Application
2-Chloro-4-methylbenzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzaldehyde derivatives. Its ortho-chloro and para-methyl groups provide enhanced regioselectivity in electrophilic aromatic substitution and facilitate coupling reactions via the aldehyde functionality. The compound exhibits good bench stability and is compatible with standard functional group transformations, including reductive amination and Grignard additions, making it a practical choice for intermediate synthesis.
Synthesis
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Route1
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201230-82-2 -
108-41-8
- ~%
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In-stock
40137-29-9 -
In-stock
50817-80-6
References
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MITSUBISHI GAS CHEMICAL COMPANY, INC. Patent: EP1544189 A1, 2005 ; Location in patent: Page/Page column 6 ;
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Route2
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50-00-0
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In-stock
615-65-6 - ~50%
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In-stock
50817-80-6
References
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Yamakawa, Naoki; Suemasu, Shintaro; Matoyama, Masaaki; Tanaka, Ken-Ichiro; Katsu, Takashi; Miyata, Keishi; Okamoto, Yoshinari; Otsuka, Masami; Mizushima, Tohru Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 11 p. 3299 - 3311
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Route3
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141-79-7
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68-12-2
- ~10%
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In-stock
50817-80-6
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2951-10-2
References
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Sreenivasulu, M.; Rao, G. S. Krishna Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1989 , vol. 28, # 1-11 p. 494 - 495
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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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 : H302-H315-H318-H335-H411
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Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 17.07
- LogP 2.46092
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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