Basic information
- Name:
Ethyl p-nitrobenzoate
- CAS No.:
99-77-4
- Molecular Structure:
- Formula:
- C9H9NO4
- Molecular Weight:
- 195.19
- 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 Description:
- 22-24/25 Details
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Chemistry
Molecular Structure of Ethyl p-nitrobenzoate (CAS NO.99-77-4):
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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.