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52129-71-2

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Basic Information
CAS No.: 52129-71-2
Name: 3',5'-Dinitro-4'-dipropylaminoacetophenone
Molecular Structure:
Molecular Structure of 52129-71-2 (3',5'-Dinitro-4'-dipropylaminoacetophenone)
Formula: C14H19N3O5
Molecular Weight: 309.36
Synonyms: 4-(Dipropylamino)-3,5-dinitroacetophenone;ACETOPHENONE, 3,5-DINITRO-4-(DI-n-PROPYLAMINO)-;Ethanone,1-[4-(dipropylamino)-3,5- dinitrophenyl]-;Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-;1-[4-(dipropylamino)-3,5-dinitro-phenyl]ethanone;3,5-Dinitro-4-(di-n-propylamino)acetophenone;Bulab;Buban 37;
Density: 1.243g/cm3
Boiling Point: 396.9 °C at 760 mmHg
Flash Point: 193.8 °C
PSA: 111.95000
LogP: 4.37840
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  • 3',5'-Dinitro-4'-(di-n-propylamino)acetophenone

  • Casno:

    52129-71-2

    3',5'-Dinitro-4'-(di-n-propylamino)acetophenone

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

  •  Shandong Mopai Biotechnology Co., LTD

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-15965530500

    Address:shandong

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  • 3',5'-Dinitro-4'-(di-n-propylamino)acetophenone

  • Casno:

    52129-71-2

    3',5'-Dinitro-4'-(di-n-propylamino)acetophenone

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

  •  Antimex Chemical Limied

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:0086-21-50563169

    Address:Room1027,No.Jinyu Road,Pudong

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 3',5'-Dinitro-4'-(di-n-propylamino)acetophenone, with CAS registry number 52129-71-2, has the systematic name of 1-[4-(dipropylamino)-3,5-dinitrophenyl]ethanone. What's more, its classification codes are Agricultural Chemical, Herbicide and Out-dated pesticide.

Physical properties of 3',5'-Dinitro-4'-(di-n-propylamino)acetophenone: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 563.73; (6)ACD/BCF (pH 7.4): 563.73; (7)ACD/KOC (pH 5.5): 3242.04; (8)ACD/KOC (pH 7.4): 3242.04; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 111.95 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 82.21 cm3; (15)Molar Volume: 248.6 cm3; (16)Polarizability: 32.59×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Enthalpy of Vaporization: 64.73 kJ/mol; (19)Vapour Pressure: 1.65E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(=O)C
(2)InChI: InChI=1/C14H19N3O5/c1-4-6-15(7-5-2)14-12(16(19)20)8-11(10(3)18)9-13(14)17(21)22/h8-9H,4-7H2,1-3H3
(3)InChIKey: VAKVTKYOQPQPJM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H19N3O5/c1-4-6-15(7-5-2)14-12(16(19)20)8-11(10(3)18)9-13(14)17(21)22/h8-9H,4-7H2,1-3H3
(5)Std. InChIKey: VAKVTKYOQPQPJM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 750mg/kg (750mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C52, 1991