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13311-84-7

Basic Information
CAS No.: 13311-84-7
Name: Propanamide,2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-
Molecular Structure:
Molecular Structure of 13311-84-7 (Propanamide,2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-)
Formula: C11H11F3N2O3
Molecular Weight: 276.24
Synonyms: m-Propionotoluidide,a,a,a-trifluoro-2-methyl-4'-nitro- (8CI);4-Nitro-3-(trifluoromethyl)isobutyranilide;Euflex;Eulexin;Flucinom;N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline;NSC 147834;NSC 215876;Niftholide;Niftolide;Odyne;
EINECS: 236-341-9
Density: 1.372 g/cm3
Melting Point: 112 °C
Boiling Point: 400.3 °C at 760 mmHg
Flash Point: 195.9 °C
Solubility:
Appearance: light yellow solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 20/21/22-63-36/37/38
Safety: 22-36-36/37/39-27-26
Transport Information:
PSA: 74.92000
LogP: 3.80430
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  • Propanamide,2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-

  • Casno:

    13311-84-7

    Propanamide,2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-

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  • Casno:

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  • Casno:

    13311-84-7

    Flutamide

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Consensus Reports

FLUTAMIDE(13311-84-7) is reported in EPA Genetic Toxicology Program.

Specification

The Flutamide, with the cas registry number 13311-84-7, has the IUPAC name of 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide. Being a kind of light yellow solid, it is nearly insoluble in water, and it is usually used as the Antiandrogen and antineoplastic (hormonal). Besides, its product categories are including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; APIs; Antitumors for Research and Experimental Use; Biochemistry; Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; API's.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 392.97; (6)ACD/BCF (pH 7.4): 392.97; (7)ACD/KOC (pH 5.5): 2504.06; (8)ACD/KOC (pH 7.4): 2504.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 61.27 cm3; (15)Molar Volume: 201.2 cm3; (16)Polarizability: 24.29 ×10-24 cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.372 g/cm3; (19)Flash Point: 195.9 °C; (20)Enthalpy of Vaporization: 65.11 kJ/mol; (21)Boiling Point: 400.3 °C at 760 mmHg; (22)Vapour Pressure: 1.29E-06 mmHg at 25°C; (23)Exact Mass: 276.072177; (24)MonoIsotopic Mass: 276.072177; (25)Topological Polar Surface Area: 74.9; (26)Heavy Atom Count: 19; (27)Formal Charge: 0; (28)Complexity: 352.

The production method of this chemical is as below: After the nitrification of benzenyl trifluoride to have m-nitrotrifluorinemethylbenzene, and then restore to have m-trifluorinemethylaniline; Next react with iso-butyryl chloride and then go through the nitrification to produce Flutamide. 

As to its usage, it is widely applied in many ways. It could be used as the NAISD male sex hormone antagonist which could restrain teststrone transforming into dihydro-testosterone; It could also be used in curing the diseases of PCa(prostatic cancer) and prostatic hyperplasia.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes, and it is irritating to rritating to eyes, respiratory system and skin. For another thing, it is harmful that may cause damage to health. If by inhalation, in contact with skin and if swallowed, it will be dangerous. Then it will have possible risk of harm to the unborn child. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Do remember not to breathe dust and if contacting with this chemical, take off immediately all contaminated clothing.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
(2)InChI: InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
(3)InChIKey: MKXKFYHWDHIYRV-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 2gm/kg (2000mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: OTHER CHANGES

LIVER: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 45, Pg. 135, 1993.
man TDLo oral 310mg/kg/31D- (310mg/kg) BEHAVIORAL: EUPHORIA American Journal of Psychiatry. Vol. 143, Pg. 1498, 1986.
 
rat LD50 intraperitoneal 289mg/kg (289mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Oyo Yakuri. Pharmacometrics. Vol. 45, Pg. 135, 1993.
rat LD50 oral 787mg/kg (787mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA

KIDNEY, URETER, AND BLADDER: INCONTINENCE
Oyo Yakuri. Pharmacometrics. Vol. 45, Pg. 135, 1993.