Basic information
- CAS
16715-79-0- Standard SMILES
COc1ccc(NC(=O)CC(C)=O)c(OC)c1- InChIKey
IQWUCASGTZCNKK-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- Butanamide, N-(2,4-dimethoxyphenyl)-3-oxo-
- IUPAC
- N-(2,4-dimethoxyphenyl)-3-oxobutanamide
- English name
- 2',4'-Dimethoxyacetoacetanilide
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
2',4'-DimethoxyacetoacetanilideN-(2,4-Dimethoxyphenyl)-3-oxobutanamideButanamide, N-(2,4-dimethoxyphenyl)-3-oxo-Acetoacetanilide, 2',4'-dimethoxy-EINECS 240-770-7NSC 50633DTXSID1066108IQWUCASGTZCNKK-UHFFFAOYSA-RefChem:570688DTXCID6035368Acetoacetanilide, 2',4'-dimethoxy-(8CI)240-770-7
Show more names
Dimethoxyacetoacetanilide2,4-DIMETHOXYACETOACETANILIDE2,4-DIMETHOXY-ACETOACETANILIDACETOACET-2,4-DIMETHOXYANILIDE2',4'-Dimethoxyacetoacetanilide>2,4-DiMethoxy-3-oxo-N-phenylbutanaMide2'',4''-DIMETHOXYACETOACETANILIDE 95+%
InChI=1/C12H15NO4/c1-8(14)6-12(15)13-10-5-4-9(16-2)7-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)16715-79-0MFCD00043929CN5TPH87BTMLS000736669NSC-50633NSC50633starbld0010846
Database identifiers
- CAS
16715-79-0- PubChem CID
- 85564
- DTXSID
DTXSID1066108
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 413.7 · 413.7±40.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 11.04 · 11.04±0.46(Predicted)
- color
- Light yellow to Brown
- CAS DataBase Reference
- 16715 · 16715-79-0(CAS DataBase Reference)
- FDA UNII
- 5 TPH87BT · CN5TPH87BT
- EPA Substance Registry System
- Butanamide, N-(2,4-dimethoxyphenyl)-3-oxo- (16715-79-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- Hazard Codes
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 (50%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2924.29.7790
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N-(2,4-dimethoxyphenyl)-3-oxo-: ACTIVE
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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