Name
|
|
EINECS
|
203-169-0
|
CAS No.
|
104-04-1
|
Density
|
1.341 g/cm3
|
PSA
|
74.92000
|
LogP
|
2.14940
|
Solubility
|
2.2g/L(room temperature)
|
Melting Point
|
213-215 °C(lit.)
|
Formula
|
C8H8N2O3
|
Boiling Point
|
408.89 °C at 760 mmHg
|
Molecular Weight
|
180.163
|
Flash Point
|
201.09 °C
|
Transport Information
|
N/A
|
Appearance
|
solid
|
Safety
|
26-36
|
Risk Codes
|
36/37/38
|
Molecular Structure
|
|
Hazard Symbols
|
Xi
|
Synonyms
|
N-Acetyl-4-nitroaniline;N-Acetyl-4-nitrobenzenamine;N-Acetyl-p-nitroaniline;NSC 1315;p-Acetamidonitrobenzene;p-Nitroacetanilide;Acetanilide,4'-nitro- (6CI,8CI);Acetanilide, p-nitro- (3CI);1-Nitro-4-acetylaminobenzene;4-(Acetylamino)nitrobenzene;N-(4-Nitrophenyl)acetamide;N-(p-Nitrophenyl)acetamide;
|
Article Data |
300
|
4'-Nitroacetanilide Synthetic route
ConditionsConditions | Yield |
---|
In dichloromethane at 20℃; for 16h; | 99.5% |
With pyridine In dichloromethane at 0 - 20℃; for 1h; | 97% |
In water at 80℃; for 0.0833333h; Microwave irradiation; Green chemistry; chemoselective reaction; | 96% |
ConditionsConditions | Yield |
---|
With sodium nitrate; sulfuric acid at 0 - 5℃; for 3h; | 99% |
With ammonium molybdate; water; nitric acid In chloroform for 6h; Nitration; Heating; | 99% |
With nitric acid; cetyltrimethylammonim bromide In acetonitrile at 24.84℃; for 2h; Micellar solution; regioselective reaction; | 85% |
ConditionsConditions | Yield |
---|
With chlorosulfonic acid In toluene at 90℃; for 0.5h; Beckmann rearrangement; | 99% |
With trifluoromethylsulfonic anhydride In dichloromethane at 20℃; for 2h; Beckmann Rearrangement; Inert atmosphere; | 94% |
With 2-chloro-1-methyl-pyridinium iodide; triethylamine In acetonitrile at 20℃; Beckmann Rearrangement; | 93% |
ConditionsConditions | Yield |
---|
With aluminum oxide at 25℃; for 0.666667h; | 98% |
With lanthanum(III) nitrate at 20℃; for 0.25h; | 98% |
In ethyl acetate at 20℃; for 20h; Inert atmosphere; | 98% |
ConditionsConditions | Yield |
---|
With bismuth(III) nitrate In acetonitrile for 0.166667h; Heating; | 98% |
With acidified wet silica gel; tetrabutylammonium periodite at 20℃; for 0.0333333h; Neat (no solvent); | 97% |
at 20℃; for 0.0833333h; Neat (no solvent); | 96% |
ConditionsConditions | Yield |
---|
Stage #1: 4-nitro-aniline; diethyl malonate at 100 - 130℃; Stage #2: With caesium carbonate In 1,4-dioxane at 100℃; | 98% |
ConditionsConditions | Yield |
---|
With manganese(III) acetate; ammonium thiocyanate at 25℃; for 2h; | 95% |
With Starbon-400-SO3H at 130℃; for 0.0333333h; Microwave irradiation; chemoselective reaction; | 92% |
With palladium (II) nanoparticles supported on Schiff-base modified clinoptilolite nanocatalyst In neat (no solvent) at 20℃; for 0.25h; Green chemistry; chemoselective reaction; | 92% |
ConditionsConditions | Yield |
---|
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In tetrahydrofuran; ethyl acetate at 70℃; for 3h; Beckmann rearrangement; Inert atmosphere; | 94% |
ConditionsConditions | Yield |
---|
With O-benzenesulfonyl-acetohydroxamic acid ethyl ester; toluene-4-sulfonic acid In water; acetonitrile at 23℃; for 24h; Inert atmosphere; | 92% |
With sodium azide; sulfuric acid; silica gel at 60℃; for 0.75h; Schmidt reaction; | 90% |
With formic acid; hydroxylamine hydrochloride; silica gel at 80℃; for 4h; Beckmann Rearrangement; | 90% |
ConditionsConditions | Yield |
---|
With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane for 10h; Reflux; | 92% |
With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h; | 86% |
With water; fluorine In chloroform; acetonitrile at -15℃; for 0.0333333h; | 80% |
With sodium perborate In acetic acid at 50 - 60℃; for 2h; | 55% |
4'-Nitroacetanilide Chemical Properties
MF: C8H8N2O3
MW: 180.16
EINECS: 203-169-0
mp: 213-215 °C(lit.)
storage temp: 2-8°C
Merck: 14,6581
BRN: 2211962
CAS DataBase Reference: 104-04-1(CAS DataBase Reference)
Synonyms:P-NITROACETANILIDE;N-ACETYL-4-NITROANILINE;LABOTEST-BB LT00455738;4'-NITROACETANILIDE;4-NITROACETANILIDE;ACETIC ACID 4-NITROANILIDE;1-Nitro-4-acetylaminobenzene;Acetamide, N-(4-nitrophenyl)-
The structure of p-NITROACETANILIDE(104-04-1) is:
4'-Nitroacetanilide Toxicity Data With Reference
1、RTECS#: CAS# 104-04-1: AE5075000
2、LD50/LC50: RTECS: Not available.
3、Carcinogenicity: 4'-Nitroacetanilide - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
4、Other: See actual entry in RTECS for complete information. The toxicological properties have not been fully investigated.
4'-Nitroacetanilide Consensus Reports
p-NITROACETANILIDE(104-04-1) is reported in EPA TSCA Inventory.
4'-Nitroacetanilide Safety Profile
Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3
RTECS: AE5075000
Moderately toxic by intraperitoneal route. Reaction with sulfuric acid is vigorous with much gas evolution. When heated to decomposition it emits toxic fumes of NOx.
4'-Nitroacetanilide Specification
1、Fire Fighting Measures of p-NITROACETANILIDE(104-04-1)
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
2、Handling and Storage of p-NITROACETANILIDE(104-04-1)
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.