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Basic Information
CAS No.: 577-71-9
Name: 3,4-DINITROPHENOL
Molecular Structure:
Molecular Structure of 577-71-9 (3,4-DINITROPHENOL)
Formula: C6H4 N2 O5
Molecular Weight: 184.108
Synonyms: 3,4-DNP;3,4-Dinitrophenol; Phenol, d-dinitro-
Density: 1.65g/cm3
Melting Point: 130-135oC
Boiling Point: 418.7°Cat760mmHg
Flash Point: 194.1°C
Hazard Symbols: T,N
Risk Codes: R23/24/25; R33; R51/53
Safety: A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also 2,4-DINITROPHENOL.
PSA: 111.87000
LogP: 2.25500
Synthetic route
554-84-7

meta-nitrophenol

A

329-71-5

2,5-dinitrophenol

B

577-71-9

3,4-dinitophenol

C

66-56-8

2,3-dinitrophenol

Conditions
ConditionsYield
With sulfuric acid; potassium nitrate at 50℃; for 4h;A 45%
B 10%
C 45%
With copper(II) nitrate In ethanol for 20h; Heating;A n/a
B n/a
C 14.6%

C13H17N3O5

A

577-71-9

3,4-dinitophenol

B

1415337-77-7

N-heptyl-O-(3,4-dinitrophenyl)hydroxylamine

Conditions
ConditionsYield
With methanesulfonic acid; sodium cyanoborohydride In methanol at 20℃; pH=3;A n/a
B 5%
554-84-7

meta-nitrophenol

A

329-71-5

2,5-dinitrophenol

B

577-71-9

3,4-dinitophenol

Conditions
ConditionsYield
With nitric acid; sodium nitrite
554-84-7

meta-nitrophenol

577-71-9

3,4-dinitophenol

Conditions
ConditionsYield
durch Nitrierung;
554-84-7

meta-nitrophenol

A

577-71-9

3,4-dinitophenol

B

66-56-8

2,3-dinitrophenol

Conditions
ConditionsYield
With nitric acid
554-84-7

meta-nitrophenol

A

573-56-8

2,6-dinitrophenol

B

577-71-9

3,4-dinitophenol

C

66-56-8

2,3-dinitrophenol

Conditions
ConditionsYield
With trifluorormethanesulfonic acid Product distribution; Ambient temperature; with 97percent CF3SO3H;A 35 % Chromat.
B 13 % Chromat.
C 52 % Chromat.
With trifluorormethanesulfonic acid Ambient temperature; nitration;A 37 % Chromat.
B 12 % Chromat.
C 51 % Chromat.
With trifluorormethanesulfonic acid Ambient temperature; nitration;A 35 % Spectr.
B 13 % Spectr.
C 52 % Spectr.
66-56-8

2,3-dinitrophenol

A

554-84-7

meta-nitrophenol

B

573-56-8

2,6-dinitrophenol

C

577-71-9

3,4-dinitophenol

Conditions
ConditionsYield
With trifluorormethanesulfonic acid at 100℃; or in 94 or 97percent acid; Yield given. Yields of byproduct given;
With trifluorormethanesulfonic acid at 100℃; Kinetics; Thermodynamic data; Mechanism; other concentrations of CF3SO3H, other temps.; Ea;
66-56-8

2,3-dinitrophenol

A

329-71-5

2,5-dinitrophenol

B

577-71-9

3,4-dinitophenol

Conditions
ConditionsYield
With trifluorormethanesulfonic acid at 70℃; Yield given. Yields of byproduct given;
With trifluorormethanesulfonic acid at 70℃; Yield given. Yields of byproduct given;
With trifluorormethanesulfonic acid at 100℃; Rate constant;
73789-33-0

3,4-dinitrophenyl cinnamate

A

140-10-3

(E)-3-phenylacrylic acid

B

577-71-9

3,4-dinitophenol

Conditions
ConditionsYield
With hydroxide In water; acetone at 25℃; Rate constant; addn. of salt;
73789-33-0

3,4-dinitrophenyl cinnamate

A

577-71-9

3,4-dinitophenol

B

26829-64-1

(E)-cinnamoyl azide

Conditions
ConditionsYield
With sodium azide In water; acetone at 25℃; Rate constant; addn. of salt;
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  • 3,4-dinitrophenol  CAS NO.577-71-9

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    3,4-dinitrophenol CAS NO.577-71-9

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Chemistry

Product Name: 3,4-Dinitrophenol
Synonyms: 3,4-Dinitrophenol ; Phenol, 3,4-dinitro- ; 3,4-DNP 
Product Categories: Aromatic Phenols;Organic Building Blocks;Oxygen Compounds;Phenols
CAS NO: 577-71-9
Molecular Formula of 3,4-Dinitrophenol  (CAS NO.577-71-9) :C6H4N2O5
Molecular Weight of 3,4-Dinitrophenol  (CAS NO.577-71-9) :184.1064
Molecular Structure of 3,4-Dinitrophenol (CAS NO.577-71-9) :
EINECS: 209-415-3
Index of Refraction:1.66
Surface Tension: 79.6 dyne/cm
Density: 1.65 g/cm3
Flash Point: 194.1 °C
Enthalpy of Vaporization: 69.83 kJ/mol
Boiling Point: 418.7 °C at 760 mmHg
Vapour Pressure: 1.33E-07 mmHg at 25°C 
Melting point: 132-135 °C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intraperitoneal 500mg/kg (500mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 462, 1959.
mouse LD50 intraperitoneal 112mg/kg (112mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 462, 1959.
rat LD50 intraperitoneal 98mg/kg (98mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 462, 1959.

Safety Profile

A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also 2,4-DINITROPHENOL.
Hazard Codes ToxicT,DangerousN
Risk Statements 23/24/25-33-51/53
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 28-37-45-61
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S37:Wear suitable gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR UN 1320 4.1/PG 1
WGK Germany 3
RTECS SL3000000
HazardClass 4.1
PackingGroup I