Basic information
- CAS
42498-40-8- Standard SMILES
CC(C)(C)NC(=O)c1ccc(Cl)cc1- InChIKey
XOEWMCMXPCWIDY-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.07639175
Names & identifiers
- Preferred name
- 4-Chloro-N-(1,1-dimethylethyl)benzamide
- IUPAC
- N-tert-butyl-4-chlorobenzamide
- English name
- N-tert-Butyl-4-chlorobenzamide
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
42498-40-84-Chloro-N-(1,1-dimethylethyl)benzamideRefChem:1070520N-(tert-Butyl)-4-chlorobenzamideN-TERT-BUTYL 4-CHLOROBENZAMIDEN-tert-Butyl-4-chlorobenzamideMFCD00461169Benzamide, 4-chloro-N-(1,1-dimethylethyl)-N-tert-butyl4-chlorobenzamideN-(t-butyl)-4-chlorobenzamideSCHEMBL2949568N-tert-butyl-4-chloro-benzamide
Show more names
DTXSID20343087AKOS002984969SB77236BS-25006DA-05935ST056533N-(tert-butyl)(4-chlorophenyl)carboxamideCS-0210999
Database identifiers
- CAS
42498-40-8- PubChem CID
- 587347
- DTXSID
DTXSID20343087- Nikkaji
- J144.455G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-(tert-Butyl)-4-chlorobenzamide is a useful compound for preparation of amides from ketones, aldehydes and derivatives.
Suppliers19 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Related reactions
4 records
Compound notes
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