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| CAS No.: | 1861-40-1 |
|---|---|
| Name: | Benfluralin |
| Molecular Structure: | |
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| Formula: | C13H16F3N3O4 |
| Molecular Weight: | 335.283 |
| Synonyms: | p-Toluidine,N-butyl-N-ethyl-a,a,a-trifluoro-2,6-dinitro- (7CI,8CI);2,6-Dinitro-4-trifluoromethyl-N-n-butyl-N-ethylaniline;4-Trifluoromethyl-2,6-dinitro-N-ethyl-N-butylaniline;Balan;Balfin;Benalan;Benefex;Benefin;Benefine;Benfluraline;Bhulan;Bonalan;Carpidor;Emblem;Flubalex;N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline;N-Butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine;N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline;N-Butyl-N-ethyl-4-trifluoromethyl-2,6-trinitroaniline;N-Butyl-N-ethyl-a,a,a-trifluoro-2,6-dinitro-p-toluidine;N-Ethyl-N-butyl-2,6-dinitro-4-trifluoromethylaniline;Pel-Tech;Quilan;a,a,a,Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine; |
| EINECS: | 217-465-2 |
| Density: | 1.337 g/cm3 |
| Melting Point: | 65 - 67oC |
| Boiling Point: | 369.107 °C at 760 mmHg |
| Flash Point: | 177.03 °C |
| Solubility: | Slightly water soluble |
| Appearance: | yellow-orange solid |
| Hazard Symbols: |
 N
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| Risk Codes: | 50/53 |
| Safety: | 22-24/25-60-61 |
| Transport Information: | UN 3077 |
| PSA: | 94.88000 |
| LogP: | 5.19460 |
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Specification
The Benfluralin, with the CAS registry number 1861-40-1, is also known as 4-Trifluoromethyl-2,6-dinitro-N-ethyl-N-butylaniline. It belongs to the product categories of Agro-Products; Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 217-465-2. This chemical's molecular formula is C13H16F3N3O4 and molecular weight is 335.28. What's more, its systematic name is N-Butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline. Its classification codes are: (1)Agricultural Chemical; (2)Herbicide; (3)Out-dated pesticide. This chemical should be sealed and stored at the temperature of 0 - 6 °C. This chemical can be prepared by 4-Chloro-3,5-dinitrobenzotrifluoride and N,N-Diethylbutylamine. Benfluralin is an herbicide of the dinitroaniline class. It is used to effectively control annual broadleaf and grass weeds in the peanuts, tobacco, alfalfa and other crops feed.
Physical properties of Benfluralin are: (1)ACD/LogP: 4.558; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1713.49; (6)ACD/BCF (pH 7.4): 1713.49; (7)ACD/KOC (pH 5.5): 7184.72; (8)ACD/KOC (pH 7.4): 7184.72; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 94.88 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 77.169 cm3; (15)Molar Volume: 250.645 cm3; (16)Polarizability: 30.592×10-24cm3; (17)Surface Tension: 41.62 dyne/cm; (18)Density: 1.338 g/cm3; (19)Flash Point: 177.03 °C; (20)Enthalpy of Vaporization: 61.584 kJ/mol; (21)Boiling Point: 369.107 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You should not breathe dust. When using it, you must avoid contact with skin and eyes. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F
(2)Std. InChI: InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
(3)Std. InChIKey: SMDHCQAYESWHAE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 56, 1991. | |
| dog | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 56, 1991. | |
| duck | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 56, 1991. | |
| mouse | LD50 | oral | 5gm/kg (5000mg/kg) | "Pesticides Symposia; Collection of Papers Presented at the Sixth & Seventh Inter-American Conferences on Toxicology and Occupational Medicine, Miami, FL," Miami, FL, J.L. Halos, 1968-70Vol. 6, Pg. 263, 1968/1970. | |
| quail | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 56, 1991. | |
| rabbit | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 56, 1991. | |
| rat | LD50 | oral | 10gm/kg (10000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C123, 1991. |