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Basic Information
CAS No.: 26399-36-0
Name: PROFLURALIN
Molecular Structure:
Molecular Structure of 26399-36-0 (PROFLURALIN)
Formula: C14H16 F3 N3 O4
Molecular Weight: 347.294
Synonyms: p-Toluidine,N-(cyclopropylmethyl)-a,a,a-trifluoro-2,6-dinitro-N-propyl- (8CI); B 4576; CG10832; CGA 10832; ER 5461;N-Cyclopropylmethyl-N-propyl-4-trifluoromethyl-2,6-dinitroaniline; Pregard;Profluralin; SGA 10832; Tolban
Density: 1.406g/cm3
Melting Point: 34℃
Boiling Point: 393.3°Cat760mmHg
Flash Point: 191.7°C
Solubility: 0.1mg/L(27 oC)
Hazard Symbols: Xi,N
Risk Codes: R36; R50/53
Safety: Moderately toxic by ingestion and inhalation. Mildly toxic by skin contact. A skin and severe eye irritant. An herbicide. See also FLUORIDES. When heated to decomposition it emits very toxic fumes of F− and NOx.
PSA: 94.88000
LogP: 5.19460
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Chemistry

Product Name: Profluralin (CAS NO.26399-36-0)


Molecular Formula: C14H16F3N3O4
Molecular Weight: 347.29g/mol
Mol File: 26399-36-0.mol
Einecs: 247-656-6
Boiling point: 393.3 °C at 760 mmHg
Flash Point: 191.7 °C
Density: 1.406 g/cm3
Surface Tension: 47.9 dyne/cm
Enthalpy of Vaporization: 64.32 kJ/mol
Vapour Pressure: 2.15E-06 mmHg at 25°C
XLogP3-AA: 5.2
H-Bond Donor: 0
H-Bond Acceptor: 8
Structure Descriptors of Profluralin (CAS NO.26399-36-0):
  IUPAC Name: N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
  Canonical SMILES: CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
  InChI: InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3 
  InChIKey: ITVQAKZNYJEWKS-UHFFFAOYSA-N
Product Categories: Alphabetic; Alpha sort; DinitroanilinePesticides&Metabolites; Herbicides; N-PAlphabetic; P; Pesticides&Metabolites; PON - PT

Toxicity Data With Reference

1.    

skn-rbt 218 mg open MLD

     CIGET*    Ciba-Geigy Toxicology Data/Indexes .Ciba-Geigy Corp.,Ardsley, NY.: 1977.
2.    

eye-rbt 44 mg SEV

     CIGET*    Ciba-Geigy Toxicology Data/Indexes .Ciba-Geigy Corp.,Ardsley, NY.: 1977.
3.    

orl-rat LD50:1808 mg/kg

     FMCHA2    Farm Chemicals Handbook .Meister Publishing,Willoughy, OH.: 1980,D310.
4.    

ihl-rat LCLo:3970 mg/m3

     CIGET*    Ciba-Geigy Toxicology Data/Indexes .Ciba-Geigy Corp.,Ardsley, NY.: 1977.
5.    

skn-rbt LD50:13,754 mg/kg

     CIGET*    Ciba-Geigy Toxicology Data/Indexes .Ciba-Geigy Corp.,Ardsley, NY.: 1977.

Safety Profile

Moderately toxic by ingestion and inhalation. Mildly toxic by skin contact. A skin and severe eye irritant. An herbicide. See also FLUORIDES. When heated to decomposition it emits very toxic fumes of F− and NOx.
Safety Information of Profluralin (CAS NO.26399-36-0):
Hazard Codes: XiIrritant,NDangerous
Risk Statements: 36-50/53 
36:  Irritating to the eyes 
50:  Very Toxic to aquatic organisms 
53:  May cause long-term adverse effects in the aquatic environment 
Safety Statements: 60-61
60:  This material and/or its container must be disposed of as hazardous waste 
61:  Avoid release to the environment. Refer to special instructions safety data sheet 

Specification

 Profluralin ,its CAS NO. is 26399-36-0,the synonyms is AI3-62694 ; B 4576 ; BRN 2179006 ; Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)- ; CGA 10832 ; Caswell No. 271BB ; EINECS 247-656-6 ; EPA Pesticide Chemical Code 106601 ; ER5461 ; GA-10832 ; HSDB 3923 ; N-(Cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)benzenamine ; N-(Cyclopropylmethyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-N-propyl-p-toluidine ; N-Cyclopropylmethyl-2,6-dinitro-N-propyl-4-trifluoromethylaniline ; N-Cyclopropylmethyl-N-n-propyl-4-trifluoromethyl-2,6-dinitroaniline ; SGA 10832 ; Tolban ; p-Toluidine, N-(cyclopropylmethyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-N-propyl- .