Basic information
- CAS
54589-57-0- Standard SMILES
CCN(CC)C(=O)c1ccc(CCl)cc1- InChIKey
KZBDMXFIDCWCOU-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO
- Average molar mass
- 225.71 g/mol
- Monoisotopic mass
- 225.09204181
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-N,N-diethylbenzamide
- IUPAC
- 4-(chloromethyl)-N,N-diethylbenzamide
- English name
- 4-ChloroMethyl-N,N-diethylbenzaMide, 97%
- Molecular formula
- C12H16ClNO
- Molecular weight
- 225.71
Names & synonyms
4-(chloromethyl)-N,N-diethylbenzamide54589-57-0Benzamide, 4-(chloromethyl)-N,N-diethyl-DTXSID60203015RefChem:1070065DTXCID60125506MFCD01679731alpha-Chloro-N,N-diethyl-p-toluamideBenzamide, 4-(chloromethyl)-N,N-diethyl- (9CI)p-Toluamide, alpha-chloro-N,N-diethyl-SCHEMBL356980KZBDMXFIDCWCOU-UHFFFAOYSA-N
Show more names
4-ChloroMethyl-N,N-diethylbenzaMide, 97%
ALBB-0323544-Chloromethyl-N,N-diethylbenzamideAKOS0093340834-(chloromethyl)-N,N-diethyl-benzamideDA-22271LS-11976H46288
Database identifiers
- CAS
54589-57-0- PubChem CID
- 3041663
- DTXSID
DTXSID60203015- Nikkaji
- J2.034.629I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-(Chloromethyl)-N,N-diethylbenzamide
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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