N-(4-Chloro-3-nitrophenyl)acetamide

HCID 79672CAS 5540-60-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIKey
QUMQBQADXFETJW-UHFFFAOYSA-N
Molecular formula
C8H7ClN2O3
Average molar mass
214.6 g/mol
Monoisotopic mass
214.01451976

Names & identifiers

Preferred name
N-(4-Chloro-3-nitrophenyl)acetamide
IUPAC
N-(4-chloro-3-nitrophenyl)acetamide
English name
N-(4-Chloro-3-nitrophenyl)acetamide
Molecular formula
C8H7ClN2O3
Molecular weight
214.61

Names & synonyms

N-(4-Chloro-3-nitrophenyl)acetamide5540-60-3EINECS 226-904-7RefChem:162121226-904-7a-(4-Chloro-3-nitrophenyl)acetamide4'-chloro-3'-nitroacetanilideSCHEMBL2337052DTXSID50970749STL481472AKOS002951614N-(4-chloro-3-nitro-phenyl)acetamide
Show more names
3NCTIMTEC-BB SBB0079934-chloro-3-nitroacetanilide3-NITRO-4-CHLOROACETANILIDEM-NITRO-P-CHLORO ACETANILIDE4-CHLORO-3-NITROPHENYLACETAMIDE2-(4-Chloro-3-nitrophenyl)acetamide4-CHLORO-3-NITROPHENYLACETAMIDE 95%
FC70923DB-080800N-(4-Chloro-3-nitrophenyl)ethanimidic acidNS00043772

Database identifiers

CAS
5540-60-3
PubChem CID
79672
DTXSID
DTXSID50970749
EC Number
226-904-7
Nikkaji
J225.008J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
147 · 147-148 °C
Boiling point
404.1 · 404.1±35.0 °C(Predicted)
Density
1.466 · 1.466±0.06 g/cm3(Predicted)
pka
13.33 · 13.33±0.70(Predicted)
CAS DataBase Reference
5540 · 5540-60-3(CAS DataBase Reference)
NIST Chemistry Reference
4 · 4-Chloro-3-nitrophenylacetamide(5540-60-3)

Chemistry & industry

Suppliers12 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]

Related reactions

7 records
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Linked notes

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