2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
Basic information
- CAS
52130-87-7- Standard SMILES
O=C(CBr)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl- InChIKey
XSTMFEOLMKEEMU-UHFFFAOYSA-N- Molecular formula
- C15H10BrClN2O4
- Average molar mass
- 397.61 g/mol
- Monoisotopic mass
- 395.95125
Names & identifiers
- Preferred name
- 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
- IUPAC
- 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
- English name
- 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
- Molecular formula
- C15H10BrClN2O4
- Molecular weight
- 397.61
Names & synonyms
52130-87-72-Bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide2-Bromo-N-(2-(2-chlorobenzoyl)-4-nitrophenyl)acetamideEINECS 257-681-4AXB5X4WL49Acetamide, 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-DTXSID50200139Acetamide, 2-bromo-N-(2-(2-chlorobenzoyl)-4-nitrophenyl)-RefChem:85827DTXCID00122630257-681-42-Bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide(Clonazepam Impurity)
Show more names
Arylex Impurity 7Clonazepam Impurity CClonazepam Impurity C(USP)2-Bromo-2'-(2-chlorobenzoyl)-4'-nitroacetanilide2-(2-Bromoacetamido)-5-Nitro-2'-Chlorobenzophenone2-Brom-N-(2-(2-chlorbenzoyl)-4-nitrophenyl)acetamid
MFCD18970068C15H10BrClN2O42-Bromo-2'-(2-chlorobenzoyl)-4'-nitroacetanilide; Clonazepam Related Compound CUNII-AXB5X4WL49SCHEMBL6907111SCHEMBL30192167Clonazepam USP Related Compound CCCA13087
Database identifiers
- CAS
52130-87-7- PubChem CID
- 104089
- DTXSID
DTXSID50200139- UNII
- AXB5X4WL49
- EC Number
- 257-681-4
- Nikkaji
- J279.456J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Melting point
- 147 · 147-149°C
- Boiling point
- 616.7 · 616.7±55.0 °C(Predicted)
- Density
- 1.673 · 1.673±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.59 · 10.59±0.70(Predicted)
- color
- Pale Yellow to Light Yellow
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C15H10BrClN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)
- InChIKey
- XSTMFEOLMKEEMU-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2Cl
- FDA UNII
- 5 X4WL49 · AXB5X4WL49
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
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 25% (1 of 4) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide (EC: 257-681-4)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 2
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H410-H372
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P391-P403+P233-P405-P501
Chemistry & industry
Applications
UsesAn impurity from the synthesis of clonazepam (C587080)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…