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553-79-7

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Basic Information
CAS No.: 553-79-7
Name: 1-N-PROPOXY-2-AMINO-4-NITROBENZENE
Article Data: 10
Molecular Structure:
Molecular Structure of 553-79-7 (1-N-PROPOXY-2-AMINO-4-NITROBENZENE)
Formula: C9H12 N2 O3
Molecular Weight: 196.206
Synonyms: Aniline,5-nitro-2-propoxy- (6CI,7CI,8CI); 1-Propoxy-2-amino-4-nitrobenzene;2-Amino-4-nitro-1-n-propoxybenzene; 2-Propoxy-5-nitroaniline;5-Nitro-2-propoxyaniline; 5-Nitro-2-propoxyphenylamine; Aros X; NSC 108776; P4000; P 4000 (sweetener); Sweetening agent P 4000; Ultrasuess; Ultrasuss;Ultrasweet
Density: 1.221g/cm3
Melting Point: 49°C
Boiling Point: 367°Cat760mmHg
Flash Point: 175.8°C
Safety: When heated to decomposition emits toxic fumes of NOx.
PSA: 81.07000
LogP: 3.07020
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Chemistry

Product Name: 5-Nitro-2-propoxyaniline (CAS NO.553-79-7)


Molecular Formula: C9H12N2O3
Molecular Weight: 196.2g/mol
Mol File: 553-79-7.mol
Einecs: 209-049-4
Boiling point: 367 °C at 760 mmHg
Flash Point: 1.41E-05 mmHg at 25°C
Density: 367 °C at 760 mmHg
Surface Tension: 48.9 dyne/cm
Enthalpy of Vaporization: 61.35 kJ/mol
Vapour Pressure: 1.41E-05 mmHg at 25°C
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 4
IUPAC Name: 5-nitro-2-propoxyaniline
Canonical SMILES: CCCOC1=C(C=C(C=C1)[N+](=O)[O-])N
InChI: InChI=1S/C9H12N2O3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5,10H2,
1H3 
InChIKey: RXQCEGOUSFBKPI-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 360mg/kg (360mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 208, Pg. 178, 1949.

Safety Profile

When heated to decomposition emits toxic fumes of NOx.

Specification

 5-Nitro-2-propoxyaniline ,its CAS NO. is 553-79-7,the synonyms is 1-Oxy-2-amino-4-nitrobenzol propyl aether ; 1-Propoxy-2-amino-4-nitrobenzene ; 1-Propoxy-2-amino-4-nitrobenzol ; 4-13-00-00897 (Beilstein Handbook Reference) ; 5-Nitro-2-propoxybenzenamine ; Aniline, 5-nitro-2-propoxy- ; Aros X ; BRN 2098543 ; Benzenamine, 5-nitro-2-propoxy- ; EINECS 209-049-4 ; NSC 108776 ; P 4000 ; Sweetening agent P 4000 ; Ultrasuess ; Benzenamine, 5-nitro-2-propoxy- (9CI) .