Basic information
- CAS
42498-38-4- Standard SMILES
CC(C)(C)NC(=O)c1ccc(Br)cc1- InChIKey
FZMGMDLGMVXWCF-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO
- Average molar mass
- 256.14 g/mol
- Monoisotopic mass
- 255.02587617
Names & identifiers
- Preferred name
- 4-bromo-N-tert-butylbenzamide
- IUPAC
- 4-bromo-N-tert-butylbenzamide
- English name
- 4-BROMO-N-(1,1-DIMETHYLETHYL)BENZAMIDE
- Molecular formula
- C11H14BrNO
- Molecular weight
- 256.14
Names & synonyms
42498-38-44-bromo-N-tert-butylbenzamide4-Bromo-N-(tert-butyl)benzamideN-t-Butyl 4-bromobenzamide4-Bromo-N-(1,1-dimethylethyl)benzamideMFCD00462539Benzamide, 4-bromo-N-(1,1-dimethylethyl)-N-tert-butyl 4-bromobenzamideN-t-butyl-4-bromobenzamideN-tert-butyl-p-bromobenzamide4-bromo-N-tert-butyl-benzamide4-Bromo-N-(tert-butyl)benzamide #
Show more names
N-tert-Butyl-4-bromobenzamide4-Bromo-N-(tert-butyl)benzamide98%4-Bromo-N-(tert-butyl)benzamide 98%
A825917SCHEMBL691761DTXSID30345274STK411046AKOS000192035p-tert-butylaminocarbonylphenyl bromidep-(tert-butylaminocarbonyl)-bromobenzeneAS-63731
Database identifiers
- CAS
42498-38-4- PubChem CID
- 603258
- DTXSID
DTXSID30345274- Nikkaji
- J144.453K
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- Melting point
- 134.98 °C · 134.98 °C
- Boiling point
- 350.5 · 350.5±25.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 14.62 · 14.62±0.46(Predicted)
- Appearance
- Off-white to light yellow Solid
- CAS DataBase Reference
- 42498 · 42498-38-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 52 · 52
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety data
- hs_code
- 2924297099
- risk_code
- 52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers35 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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]
武汉凯威斯科技有限公司86-027-67849912 · [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]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
17 records
Compound notes
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