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1798-11-4

Basic Information
CAS No.: 1798-11-4
Name: 4-Nitrophenoxyacetic acid
Article Data: 65
Molecular Structure:
Molecular Structure of 1798-11-4 (4-Nitrophenoxyacetic acid)
Formula: C8H7NO5
Molecular Weight: 197.147
Synonyms: Aceticacid, (4-nitrophenoxy)- (9CI);Acetic acid, (p-nitrophenoxy)- (6CI,7CI,8CI);(4-Nitrophenoxy)acetic acid;(p-Nitrophenoxy)acetic acid;Ba 2690;NSC 166278;a-(4-Nitrophenoxy)acetic acid;
EINECS: 217-283-3
Density: 1.445 g/cm3
Melting Point: 182-188 °C
Boiling Point: 399.9 °C at 760 mmHg
Flash Point: 195.6 °C
Appearance: yellow-beige crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 44-36/37/38-22
Safety: 37/39-26
PSA: 92.35000
LogP: 1.58140
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Chemistry

IUPAC Name: p-Nitrophenoxyacetic acid
Synonyms of p-Nitrophenoxyacetic acid (CAS NO.1798-11-4): Acetic acid, (4-nitrophenoxy)- ; Acetic acid, p-nitrophenoxy- ; p-Nitrophenoxyacetic acid ; Acetic acid, 2-(4-nitrophenoxy)-
Product Categories:Phenoxyacetic Acids and Alcohols (substituted);Organic acids
CAS NO: 1798-11-4
Molecular Formula: C8H7NO5
Molecular Weight : 197.14
Molecular Structure:
EINECS: 217-283-3 
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 81.35 Å2
Index of Refraction: 1.584
Molar Refractivity: 45.67 cm3
Molar Volume: 136.4 cm3
Surface Tension: 60.8 dyne/cm
Density: 1.445 g/cm3
Flash Point: 195.6 °C
Enthalpy of Vaporization: 68.61 kJ/mol
Boiling Point: 399.9 °C at 760 mmHg
Vapour Pressure: 4.12E-07 mmHg at 25°C
Melting Point: 182-188 °C
Appearance: P-Nitrophenoxyacetic acid (CAS NO.1798-11-4) is yellow-beige crystalline powder.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 936mg/kg (936mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 211, 1970

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: HarmfulXn,Xi
Risk Statements: 44-36/37/38-22
R22: Harmful if swallowed. 
R36/37/38: P-Nitrophenoxyacetic acid (CAS NO.1798-11-4) is irritating to eyes, respiratory system and skin. 
R44: Risk of explosion if heated under confinement.
Safety Statements: 37/39-26
RTECS: AJ1100000
HazardClass: IRRITANT

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.

Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Combustible solid. Containers may explode if exposed to fire. Risk of explosion if heated under confinement.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container.