Nitrofen
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Basic Info
| Common Name | Nitrofen(F06311) |
| 2D Structure | |
| FRCD ID | F06311 |
| CAS Number | 1836-75-5 |
| PubChem CID | 15787 |
| Formula | C12H7Cl2NO3 |
| IUPAC Name | 2,4-dichloro-1-(4-nitrophenoxy)benzene |
| InChI Key | XITQUSLLOSKDTB-UHFFFAOYSA-N |
| 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 |
| Canonical SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl |
| Synonyms |
2,4-Dichloro-1-(4-nitrophenoxy)benzene
NITROFEN
1836-75-5
Nitrochlor
Nitrophen
Niclofen
Nitrophene
Trizilin
Mezotox
Nitrafen
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - 1,3-dichlorobenzene - Phenol ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 284.092 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Complexity | 290 |
| Monoisotopic Mass | 282.98 |
| Exact Mass | 282.98 |
| XLogP | 4.3 |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Head cabbages (Pointed head cabbages, Red cabbages, Savoy cabbages, White cabbage,) | 0242020 | European Union | 0.01* | 01/09/2008 | |
| Chinese cabbages/pe-tsai (Chinese flat cabbages/tatsoi/tai goo choi, Indian mustards/mustard greens, Komatsuna/mustard spinaches, Mizuna (4), Pak-choi/paksoi, Turnip greens/turnip tops (5), Seakale,) | 0243010 | European Union | 0.01* | 01/09/2008 | |
| Basil and edible flowers (Apple mint, Asiatic pennywort, Bergamot mint/eau-de-Cologne mint, Corsican mint, Courgette (edible flowers), Gingermint, Greek bush basil, Hoary basil, Holy basil/tulsi, L... | 0256080 | European Union | 0.01* | 01/09/2008 | |
| Laurel/bay leaves (Curry leaves, Kaffir lime leaves, Siamese cassia, Wild betel leaves, Pandan leaves,) | 0256090 | European Union | 0.01* | 01/09/2008 | |
| Beans (with pods) (Azuki beans, Black eyed peas/cowpeas, Broad beans/fava beans/horse beans/tic beans, Borlotti beans/cannelini beans/common beans/flageolets/French beans/slicing beans/snap beans, ... | 0260010 | European Union | 0.01* | 01/09/2008 | |
| Gold of pleasure seeds | 0401130 | European Union | 0.02* | 01/09/2008 | |
| Castor beans (Grape seeds, Sea buckthorn/sallow thorn seeds,) | 0401150 | European Union | 0.02* | 01/09/2008 | |
| Rose (Almond, Bee balm, Bitter orange/sour orange, Black locust, Cat’s foot, Chrysanthemum, Cinnamon, Clary sage, Cornflower, Cowslip/primrose, Daisy, Dyer’s broom, Elder, Field poppy, Great mullei... | 0631030 | European Union | 0.02* | 01/09/2008 | |
| Strawberry (Absinth/common wormwood, Agrimony, Alfalfa/lucerne, Aloe (leaf gel), Alpine ladies mantle, Bearberry, Bilberry/European blueberry/whortleberry, Birch, Bitter orange/sour orange, Blackbe... | 0632010 | European Union | 0.02* | 01/09/2008 | |
| HOPS | 0700000 | European Union | 0.02* | 01/09/2008 | |
| Black caraway/black cumin (Nigella,) | 0810020 | European Union | 0.02* | 01/09/2008 | |
| Peppercorn (black, green and white) (Brazilian pepper, Cubeb/tailed pepper, Grain of paradise, Long pepper/pipali, Pink pepper, Sumac, West African pepper,) | 0820060 | European Union | 0.02* | 01/09/2008 | |
| Liver | 1014030 | European Union | 0.01* | 01/09/2008 | |
| Edible offals (other than liver and kidney) | 1014050 | European Union | 0.01* | 01/09/2008 | |
| (f) poultry (Bobwhite quail, Chicken (including silkie chicken), Collared Dove, Duck, Geese, Green peafowl, Guinea fowl, Japanese quail, Muskovy duck, Mute swan, Partridge, Peafowl, Pheasant, Pigeo... | 1016000 | European Union | 0.01* | 01/09/2008 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 0.01* | 01/09/2008 | |
| FRUITS, FRESH or FROZEN; TREE NUTS | 0100000 | European Union | 0.01* | 01/09/2008 | |
| Citrus fruits | 0110000 | European Union | 0.01* | 01/09/2008 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 0.01* | 01/09/2008 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 0.01* | 01/09/2008 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Improved pulmonary function in the nitrofen model of congenital diaphragmatichernia following prenatal maternal dexamethasone and/or sildenafil. | Pediatr Res | 2016 Oct | 27376883 |
| Nitrofen increases total retinol levels in placenta during lung morphogenesis in the nitrofen model of congenital diaphragmatic hernia. | Pediatr Surg Int | 2014 Oct | 24972641 |
| Increased uptake of dietary retinoids at the maternal-fetal barrier in thenitrofen model of congenital diaphragmatic hernia. | J Pediatr Surg | 2014 Jun | 24888824 |
| Comparison of nitrofen uptake via water and food and its distribution in tissueof common carp, Cyprinus carpio L. | Bull Environ Contam Toxicol | 2011 Sep | 21713387 |
| Prenatal treatment with retinoic acid activates parathyroid hormone-relatedprotein signaling in the nitrofen-induced hypoplastic lung. | Pediatr Surg Int | 2011 Jan | 20857298 |
| Residues of persistent organic pollutants (POPs) in human milk in Hong Kong. | Chemosphere | 2010 Apr | 20199797 |
| PCB and organochlorine pesticides in home-produced eggs in Belgium. | Sci Total Environ | 2009 Jul 15 | 19150570 |
| Metabolism of nitrodiphenyl ether herbicides by dioxin-degrading bacteriumSphingomonas wittichii RW1. | J Agric Food Chem | 2008 Oct 8 | 18778066 |
| Effects of maternal retinoic acid administration in a congenital diaphragmatic hernia rabbit model. | Pediatr Pulmonol | 2008 Jun | 18435480 |
| Altered regulation of retinoic acid synthesis in nitrofen-induced hypoplasticlung. | Pediatr Surg Int | 2007 May | 17203325 |
| Effects of antioxidant vitamins on molecular regulators involved in lunghypoplasia induced by nitrofen. | J Pediatr Surg | 2006 Aug | 16863852 |
| Can maternal vitamin e supplementation prevent lung hypoplasia in thenitrofen-induced rat model of congenital diaphragmatic hernia? | Pediatr Res | 2005 Mar | 15611344 |
| Antenatal vitamin A administration attenuates lung hypoplasia by interfering withearly instead of late determinants of lung underdevelopment in congenitaldiaphragmatic hernia. | J Pediatr Surg | 2005 Apr | 15852274 |
| [Study of nitrofen as a health risk. Toxic effect on human DNA has been established]. | MMW Fortschr Med | 2002 Oct 17 | 12533996 |
| Prenatal risks deriving from environmental chemicals. | Ann Ist Super Sanita | 1993 | 8129272 |