Basic information
- CAS
56108-12-4- Standard SMILES
CC(C)(C)c1ccc(C(N)=O)cc1- InChIKey
VIPMBJSGYWWHAO-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- p-(tert-Butyl)benzamide
- IUPAC
- 4-tert-butylbenzamide
- English name
- 4-TERT-BUTYLBENZAMIDE
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
4-tert-butylbenzamide56108-12-44-(tert-Butyl)benzamidep-(tert-butyl)benzamideBenzamide, 4-(1,1-dimethylethyl)-4-(1,1-dimethylethyl)benzamidep-tert-butylbenzamide5E7907Z6BMDTXSID3022295RefChem:857958DTXCID302295666-866-2
Show more names
P-T-BUTYLBENZAMIDE4-TERT-BUTYLBENZAMIDE 98%4-(tert-Butyl)benzamide98%4-(TERT-BUTYL)BENZENECARBOXAMIDE
MFCD000171394-tert.-butyl-benzamideUNII-5E7907Z6BMCHEMBL2426225EN300-49255D702934-t-butylbenzamideQ27893868
Database identifiers
- CAS
56108-12-4- PubChem CID
- 92014
- DTXSID
DTXSID3022295- ChEMBL
CHEMBL2426225- UNII
- 5E7907Z6BM
- EC Number
- 666-866-2
- Nikkaji
- J267.360F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
LogP2.51
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 293.2 · 293.2±19.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- pka
- 16.25 · 16.25±0.50(Predicted)
- color
- White
- BRN
- 2086692 · 2086692
- CAS DataBase Reference
- 56108 · 56108-12-4(CAS DataBase Reference)
- FDA UNII
- 5 E7907Z6BM · 5E7907Z6BM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.5%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers68 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
Related reactions
3 records
Compound notes
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