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Cas Database |
| Name |
Nitrofluorfen |
EINECS | N/A |
| CAS No. | 42874-01-1 | Density | 1.461g/cm3 |
| PSA | 55.05000 | LogP | 5.58250 |
| Solubility | N/A | Melting Point |
68°C |
| Formula | C13H7ClF3NO3 | Boiling Point | 329.8°C at 760 mmHg |
| Molecular Weight | 317.652 | Flash Point | 153.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-chloro-α,α,α-trifluoro-p-tolyl 4-nitrophenyl ether;RH 2512;Nitrofluorfen;Nitrofluorfene;2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene; |
Article Data | 4 |
Nitrofluorfen Chemical Properties
Product Name: Nitrofluorfen (CAS NO.42874-01-1)
Molecular Formula: C13H7ClF3NO3
Molecular Weight: 317.65g/mol
Mol File: 42874-01-1.mol
Boiling point: 329.8 °C at 760 mmHg
Flash Point: 153.3 °C
Density: 1.461 g/cm3
Surface Tension: 40.1 dyne/cm
Enthalpy of Vaporization: 54.96 kJ/mol
Vapour Pressure: 0.000332 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Nitrofluorfen (CAS NO.42874-01-1):
IUPAC Name: 2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)C(F)(F)F)Cl
InChI: InChI=1S/C13H7ClF3NO3/c14-11-7-8(13(15,16)17)1-6-12(11)21-10-4-2-9(3-5-10)18(19)20/h1-7H
InChIKey: ZGGSVBWJVIXBHV-UHFFFAOYSA-N
Nitrofluorfen Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | > 5gm/kg (5000mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 592, 1975. | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 592, 1975. | |
| rat | LD50 | oral | 1gm/kg (1000mg/kg) | "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 2, Pg. 200, 1977. |
Nitrofluorfen Safety Profile
Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.
Nitrofluorfen Specification
Nitrofluorfen ,its CAS NO. is 42874-01-1, the synonyms are 2-Chloro-1-(4-nitrophenoxy)-4-trifluoromethylbenzene ; BRN 2061985 ; Benzene, 2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)- (9CI) ; Nitrofluorfene ; Nitrofluorofen ; RH-2512 ; Ether, 2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl p-nitrophenyl .
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