N-[4-(2-bromopropanoyl)phenyl]acetamide
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Basic information
- CAS
63514-63-6- Standard SMILES
CC(=O)Nc1ccc(C(=O)C(C)Br)cc1- InChIKey
LLZKTKZPJBSEHD-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO2
- Average molar mass
- 270.12 g/mol
- Monoisotopic mass
- 269.00514
Names & identifiers
- Preferred name
- N-[4-(2-bromopropanoyl)phenyl]acetamide
- IUPAC
- N-[4-(2-bromopropanoyl)phenyl]acetamide
- English name
- N-[4-(2-bromopropanoyl)phenyl]acetamide
- Molecular formula
- C11H12BrNO2
- Molecular weight
- 270.12
Names & synonyms
N-[4-(2-bromopropanoyl)phenyl]acetamide63514-63-6N-(4-(2-Bromopropanoyl)phenyl)acetamideDTXSID70313694RefChem:361629DTXCID10264818832-860-5MFCD11182349NSC274945SCHEMBL6209273AKOS009316872NSC-274945
Show more names
Amobam Impurity 4Granisetron ImpurityN-[4-(2-bromopropanoylLevosimendan Impurity 44Levosimendan Impurity 61Granisetron Impurity 4 HCl
AS-63934SY109062CS-0154988L10170Acetamide, N-[4-(2-bromo-1-oxopropyl)phenyl]-F547930
Database identifiers
- CAS
63514-63-6- PubChem CID
- 321732
- DTXSID
DTXSID70313694- EC Number
- 832-860-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 128 · 128-130 °C(Solv: ethanol (64-17-5))
- Boiling point
- 431.6 · 431.6±25.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 14.47 · 14.47±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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