Basic information
- CAS
881-50-5- Standard SMILES
CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]- InChIKey
GUBNCRISSRANNO-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O3
- Average molar mass
- 259.06 g/mol
- Monoisotopic mass
- 257.964
Names & identifiers
- Preferred name
- N-(4-bromo-2-nitrophenyl)acetamide
- IUPAC
- N-(4-bromo-2-nitrophenyl)acetamide
- English name
- 4'-BROMO-2'-NITROACETANILIDE
- Molecular formula
- C8H7BrN2O3
- Molecular weight
- 259.06
Names & synonyms
N-(4-Bromo-2-nitrophenyl)acetamide881-50-5RefChem:827218618-120-24'-Bromo-2'-nitroacetanilide4-Bromo-2-nitroacetanilideMFCD00024299Acetamide, N-(4-bromo-2-nitrophenyl)-4//'-Bromo-2//'-nitroacetanilideN-(4-bromo-2-nitro-phenyl)-acetamideN-(2-Nitro-4-bromophenyl)acetamideNSC142293
Show more names
N-(4-bromo-2-nitro-phenyl)ethanamide
N-(4-bromo-2-nitro-phenyl)acetamide2-Nitro-4-bromacetanilidN-(4-Bromo-2-nitrophenyl)SCHEMBL978546SCHEMBL31331661DTXSID10236818N-Acetyl 4-bromo-2-nitroanilineALBB-023629
Database identifiers
- CAS
881-50-5- PubChem CID
- 136690
- DTXSID
DTXSID10236818- EC Number
- 618-120-2
- Nikkaji
- J89.925I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 102 · 102-104°C
- Boiling point
- 416.8 · 416.8±35.0 °C(Predicted)
- Density
- 1.72 · 1.720±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.96 · 12.96±0.70(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers43 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司
Related reactions
17 records
Compound notes
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