Products Categories
CAS No.: | 1836-75-5 |
---|---|
Name: | NITROFEN |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C12H7Cl2NO3 |
Molecular Weight: | 284.098 |
Synonyms: | Ether,2,4-dichlorophenyl p-nitrophenyl (6CI,8CI);2,4-Dichloro-1-(4-nitrophenoxy)benzene;2,4-Dichloro-4'-nitrodiphenyl ether;2,4-Dichlorophenyl 4-nitrophenyl ether;2,4-Dichlorophenyl p-nitrophenyl ether;2',4'-Dichloro-4-nitrodiphenyl ether;4-(2,4-Dichlorophenoxy)nitrobenzene;4-Nitro-2',4'-dichlorophenyl ether;4'-Nitro-2,4-dichlorodiphenyl ether;FW925;Mezotox;NIP;Niclofen;Nitrochlor;Nitrofen;Nitrofen (pesticide);Nitrophen;Nitrophene;Preparation 125;TOK;TOK (ether);TOK E;TOK E 25;TOKE 40;Trizilin;Trizilin 25; |
EINECS: | 217-406-0 |
Density: | 1.451 g/cm3 |
Melting Point: | 69-70°C |
Boiling Point: | 360.6 °C at 760 mmHg |
Flash Point: | 171.9 °C |
Solubility: | 1mg/L(22 oC) |
Appearance: | Colorless crystals or black solid |
Hazard Symbols: | T,N |
Risk Codes: | 45-61-50/53-22 |
Safety: | 45-53-61-60 |
PSA: | 55.05000 |
LogP: | 5.21710 |
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 30 (1983),p. 271.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (feed); No Evidence: rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-184 ,1979. ; Clear Evidence: mouse, rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-26 ,1978. ; Clear Evidence: mouse NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-184 ,1979. . EPA Genetic Toxicology Program. Community Right-To-Know List. Reported in EPA TSCA Inventory.
The Nitrofen is an organic compound with the formula C12H7Cl2NO3. The systematic name of this chemical is 2,4-dichloro-1-(4-nitrophenoxy)benzene. With the CAS registry number 1836-75-5, it is also named as 2,4-Dichlorophenyl 4-nitrophenyl ether. The product's category is Herbicide. Besides, it is a colorless crystal or black solid, which should be stored at temperature of 0 - 6 °C.
Physical properties about Nitrofen are: (1)ACD/LogP: 4.92; (2)ACD/LogD (pH 5.5): 4.92; (3)ACD/LogD (pH 7.4): 4.92; (4)ACD/BCF (pH 5.5): 3235.59; (5)ACD/BCF (pH 7.4): 3235.59; (6)ACD/KOC (pH 5.5): 11324.51; (7)ACD/KOC (pH 7.4): 11324.51; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.05 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 69.03 cm3; (13)Molar Volume: 195.7 cm3; (14)Polarizability: 27.36×10-24cm3; (15)Surface Tension: 51.9 dyne/cm; (16)Density: 1.451 g/cm3; (17)Flash Point: 171.9 °C; (18)Enthalpy of Vaporization: 58.25 kJ/mol; (19)Boiling Point: 360.6 °C at 760 mmHg; (20)Vapour Pressure: 4.55E-05 mmHg at 25°C.
Uses of Nitrofen: it can be used to produce 4-(2,4-dichloro-phenoxy)-aniline. It will need reagent iron, acetic acid and aqueous ethanol.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and may cause cancer. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and may cause harm to the unborn child. When you are using it, avoid release to the environment. Refer to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)ccc2Oc1ccc([N+]([O-])=O)cc1
(2)InChI: InChI=1/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
(3)InChIKey: XITQUSLLOSKDTB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
(5)Std. InChIKey: XITQUSLLOSKDTB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LCLo | inhalation | 620mg/m3/4H (620mg/m3) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967. |
cat | LDLo | oral | 300mg/kg (300mg/kg) | Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967. | |
mouse | LD50 | oral | 450mg/kg (450mg/kg) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967. |
rabbit | LD50 | oral | 1620mg/kg (1620mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 166, 1976. | |
rabbit | LDLo | skin | 3270mg/kg (3270mg/kg) | Toxicology. Vol. 29, Pg. 1, 1983. | |
rat | LD50 | oral | 740mg/kg (740mg/kg) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967. |
rat | LD50 | skin | 5gm/kg (5000mg/kg) | Archives of Environmental Health. Vol. 28, Pg. 316, 1974. | |
rat | LD50 | unreported | 3gm/kg (3000mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 109, 1971. |