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99-77-4

Basic Information
CAS No.: 99-77-4
Name: Ethyl p-nitrobenzoate
Article Data: 248
Molecular Structure:
Molecular Structure of 99-77-4 (Ethyl p-nitrobenzoate)
Formula: C9H9NO4
Molecular Weight: 195.175
Synonyms: Benzoicacid, p-nitro-, ethyl ester (6CI,8CI);4-(Ethoxycarbonyl)nitrobenzene;4-Ethoxycarbonyl-1-nitrobenzene;4-Nitrobenzoic acid ethyl ester;Ethyl4-nitrobenzoate;
EINECS: 202-786-2
Density: 1.253 g/cm3
Melting Point: 55-59 °C(lit.)
Boiling Point: 315 °C at 760 mmHg
Flash Point: 148.2 °C
Solubility: insoluble in water
Appearance: yellow crystalline powder
Risk Codes: 33
Safety: 22-24/25
PSA: 72.12000
LogP: 2.29470
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Chemistry

Molecular Structure of Ethyl p-nitrobenzoate (CAS NO.99-77-4):

IUPAC Name: ethyl 4-nitrobenzoate 
Empirical Formula: C9H9NO4
Molecular Weight: 195.1721
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 72.12 Å2
Index of Refraction: 1.544
Molar Refractivity: 49.2 cm3
Molar Volume: 155.6 cm3
Surface Tension: 46.9 dyne/cm
Density: 1.253 g/cm3
Flash Point: 148.2 °C
Enthalpy of Vaporization: 55.62 kJ/mol
Boiling Point: 315 °C at 760 mmHg
Vapour Pressure: 0.00045 mmHg at 25°C
EINECS: 202-786-2
Melting Point: 55-59 °C(lit.)
Form: yellow crystalline powder
Merck: 14,3832
BRN: 1912879
Product Categories: Fine chemical & intermediates; Aromatic Esters; C8 to C9; Carbonyl Compounds; Esters

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 2050mg/kg (2050mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toksikologicheskii Vestnik. Vol. (6), Pg. 29, 1997.
rat LD50 oral 2660mg/kg (2660mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toksikologicheskii Vestnik. Vol. (6), Pg. 29, 1997.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. An insecticide. See also Nitro compounds of aromatic hydrocarbons.
Safety information of Ethyl p-nitrobenzoate (CAS NO.99-77-4):
Risk Statements: 33
R33:Danger of cumulative effects.
Safety Statements: 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: DH5600000

Specification

  Ethyl p-nitrobenzoate , with CAS number of 99-77-4, can be called Ethyl4-nitrobenzoate ; 4-Nitrobenzoic acid ethyl ester ; 4-Ethoxycarbonyl-1-nitrobenzene ; 4-(Ethoxycarbonyl)nitrobenzene . Ethyl p-nitrobenzoate (CAS NO.99-77-4) is used as intermediates in organic synthesis. In the pharmaceutical industry for the production of local anesthetic benzocaine, tetracaine hydrochloride and retirement cough and other antitussives.