Basic information
- CAS
2415-87-4- Standard SMILES
CC(=O)CC(=O)Nc1cccc(Cl)c1- InChIKey
MTPKMGABYQNMMG-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
- Monoisotopic mass
- 211.0400063
Names & identifiers
- Preferred name
- N-(3-Chlorophenyl)-3-oxobutanamide
- IUPAC
- N-(3-chlorophenyl)-3-oxobutanamide
- English name
- 3'-chloroacetoacetanilide
- Molecular formula
- C10H10ClNO2
- Molecular weight
- 211.64
Names & synonyms
N-(3-Chlorophenyl)-3-oxobutanamide2415-87-4Butanamide, N-(3-chlorophenyl)-3-oxo-EINECS 219-328-2NSC 1313432-Acetyl-3'-chloroacetanilideDTXSID0062395RefChem:161948DTXCID1037014MTPKMGABYQNMMG-UHFFFAOYSA-N3'-ChloroacetoacetanilideN-(3-Chlorophenyl)-3-oxobutyramide
Show more names
N-(3-Chlorophenyl)N-[3-(Chloroacetyl)phenyl]acetamideN-(3-chlorophenyl)-3-keto-butyramideN-(3-Chlorophenyl)-3-oxobutyramide >N-(3-Chlorophenyl)-3-oxobutyramide
MFCD00018440J74YM3C2KFNSC-131343NSC131343UNII-J74YM3C2KFSCHEMBL9428788SBB001685STK350657
Database identifiers
- CAS
2415-87-4- PubChem CID
- 75487
- DTXSID
DTXSID0062395- UNII
- J74YM3C2KF
- EC Number
- 219-328-2
- Nikkaji
- J153.251K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 101 to · 101.0 to 105.0 °C
- Boiling point
- 397 · 397.0±27.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 10.99 · 10.99±0.46(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- λmax
- 247 nm · 247nm(EtOH)(lit.)
- CAS DataBase Reference
- 2415 · 2415-87-4
- FDA UNII
- 74 YM3C2KF · J74YM3C2KF
- EPA Substance Registry System
- 3 · Butanamide, N-(3-chlorophenyl)-3-oxo- (2415-87-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2924.29.7790
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N-(3-chlorophenyl)-3-oxo-: INACTIVE
Suppliers21 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
Related reactions
2 records
Compound notes
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