N-[4-bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide
Basic information
- CAS
41526-21-0- Standard SMILES
O=C(CCl)Nc1ccc(Br)cc1C(=O)c1ccccn1- InChIKey
LYISZEZBKBGONS-UHFFFAOYSA-N- Molecular formula
- C14H10BrClN2O2
- Average molar mass
- 353.6 g/mol
- Monoisotopic mass
- 351.96142
Names & identifiers
- Preferred name
- N-[4-bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide
- IUPAC
- N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-2-chloroacetamide
- English name
- N-[4-Bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide
- Molecular formula
- C14H10BrClN2O2
- Molecular weight
- 353.6
Names & synonyms
41526-21-0N-[4-BROMO-2-(2-PYRIDYLCARBONYL)PHENYL]-2-CHLOROACETAMIDEEINECS 255-427-7N-(4-Bromo-2-(2-pyridylcarbonyl)phenyl)-2-chloroacetamideDTXSID70194400RefChem:827178DTXCID40116891255-427-7N-(4-Bromo-2-picolinoylphenyl)-2-chloroacetamideBromazepam EP Impurity BN-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-2-chloroacetamide2-(2-Chloroacetamido-5-bromobenzoyl)pyridine
Show more names
Tocopherol Impurity 322-(2-Chloroacetylamido)-5-bromobenzoyl)pyridineN-[4-bromo-2-[oxo(2-pyridinyl)methyl]phenyl]-2-chloroacetamideN-(4-Bromo-2-picolinoylphenyl)-2-chloroacetamide (Bromazepam Impurity)
MFCD09743853C14H10BrClN2O2N-[4-Bromo-2-(pyridin-2-ylcarbonyl)phenyl]-2-chloroacetamideN-[4-Bromo-2-(pyridin-2-ylcarbonyl)phenyl]-2-chloroacetamide; Bromazepam Imp. B (EP); Bromazepam Impurity BW2E7F48BSDLYISZEZBKBGONS-UHFFFAOYSA-NAcetamide, N-[4-bromo-2-(2-pyridinylcarbonyl)phenyl]-2-chloro-BROMAZEPAM IMPURITY B [EP IMPURITY]
Database identifiers
- CAS
41526-21-0- PubChem CID
- 3016284
- DTXSID
DTXSID70194400- UNII
- W2E7F48BSD
- EC Number
- 255-427-7
- Nikkaji
- J320.097C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 131 · 131-132 °C(Solv: ethanol (64-17-5))
- Boiling point
- 574.3 · 574.3±50.0 °C(Predicted)
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 11.28 · 11.28±0.70(Predicted)
- color
- Pale Yellow to Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
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, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: N-[4-bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide (EC: 255-427-7)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesN-(4-Bromo-2-picolinoylphenyl)-2-chloroacetamide is a derivative of 2-(2-Amino-5-bromobenzoyl)pyridine (A601785); an intermediate in the preparation of Bromazepam (B678500).
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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