N-(4-formyl-2-nitrophenyl)acetamide

HCID 291355CAS 51818-98-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccc(C=O)cc1[N+](=O)[O-]
InChIKey
CNCOWQRMRJIFOH-UHFFFAOYSA-N
Molecular formula
C9H8N2O4
Average molar mass
208.17 g/mol
Monoisotopic mass
208.04840674

Names & identifiers

Preferred name
N-(4-formyl-2-nitrophenyl)acetamide
IUPAC
N-(4-formyl-2-nitrophenyl)acetamide
English name
N-(4-Formyl-2-nitrophenyl)acetamide
Molecular formula
C9H8N2O4
Molecular weight
208.17

Names & synonyms

n-(4-formyl-2-nitrophenyl)acetamideRefChem:827678806-792-151818-98-5MFCD00092015NSC156550p-Acetamido-m-Nitrobenzaldehyd4'-Formyl-2'-nitroacetanilideSCHEMBL33233794-Acetamido-3-nitrobenzaldehyde4-acetylamino-3-nitrobenzaldehydeDTXSID70966149
Show more names
Acetamide, N-(4-formyl-2-nitrophenyl)-(2S)-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
CNCOWQRMRJIFOH-UHFFFAOYSA-NAKOS025392347N-(4formyl-2-nitro-phenyl)-acetamideAS-2735NSC-156550N-(4-formyl-2-nitro-phenyl)-acetamideDB-320403N-(4-Formyl-2-nitrophenyl)ethanimidic acid

Database identifiers

CAS
51818-98-5
PubChem CID
291355
DTXSID
DTXSID70966149
EC Number
806-792-1
Nikkaji
J1.367.233D

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
92 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
155 °C · 155 °C
Boiling point
445.1 · 445.1±40.0 °C(Predicted)
Density
1.425 · 1.425±0.06 g/cm3(Predicted)
pka
13.35 · 13.35±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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

hs_code
2922390090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332
Precautionary statements
P260-P280

Chemistry & industry

Suppliers12 total

上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
上海杰瑞兴生物医药科技有限公司17521512546 17721492509 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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