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39300-45-3

Basic Information
CAS No.: 39300-45-3
Name: Dinocap
Molecular Structure:
Molecular Structure of 39300-45-3 (Dinocap)
Formula: C18H24 N2 O6
Molecular Weight: 364.44
Synonyms: Caprane;Carathane; Crotothane; DPC; DPC (pesticide); Dinocap; Karathane; Karathane 25;Karathane FN 57; Karathane LC; Mildex
EINECS: 254-408-0
Density: 1.10
Boiling Point: 138-140 ºC
Flash Point: 173.9oC
Solubility: practically insoluble
Appearance: Dark oily liquid.
Hazard Symbols:
Risk Codes: R61;R20/22;R38;R43;R48/22;R50/53   
Safety: Poison by ingestion and intravenous routes. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. Questionable carcinogen with experimental neoplastigenic data. See NITRATES. When heated to decomposition it emits toxic fumes of NOx.
Transport Information: UN 3082
PSA: 117.94000
LogP: 5.78980
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  • cas:39300-45-3 C18H24N2O6

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    cas:39300-45-3 C18H24N2O6

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    Dinocap 39300-45-3

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  • cas:39300-45-3 C18H24N2O6

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    cas:39300-45-3 C18H24N2O6

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  • cas:39300-45-3 C18H24N2O6  CAS NO.39300-45-3

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    cas:39300-45-3 C18H24N2O6 CAS NO.39300-45-3

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Chemistry

Molecular Formula: C18H24N2O6
Molar mass: 364.39 g/mol
EINECS: 254-408-0
Density: 1.175 g/cm3
Flash Point: 173.9 °C
Index of Refraction: 1.54
Boiling Point: 473.7 °C at 760 mmHg
Vapour Pressure: 3.85E-09 mmHg at 25°C
Water solubility: Practically insoluble
Appearance: Dark oily liquid
Product categories of Dinocap(39300-45-3): Dinitrophenol compounds;Acaricides Pesticides & Metabolites;Alpha sort;DID - DIN Pesticides;Fungicides
Structure of Dinocap (39300-45-3):
               
XLogP3-AA: 6
H-Bond Donor: 0
H-Bond Acceptor: 6
Systematic Name: [2-(1-Methylheptyl)-4,6-dinitro-phenyl] (E)-but-2-enoate
SMILES: O=C(Oc1c(cc(cc1C(C)CCCCCC)[N+]([O-])=O)[N+]([O-])=O)/C=C/C 
InChI: InChI=1/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+ 
InChIKey: NIOPZPCMRQGZCE-WEVVVXLNBY 
Std. InChI: InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+ 
Std. InChIKey: NIOPZPCMRQGZCE-WEVVVXLNSA-N

Toxicity Data With Reference

1.    

mmo-sat 500 µg/plate

    MUREAV    Mutation Research. 116 (1983),185.
2.    

mmo-smc 5 ppm

    RSTUDV    Rivista di Scienza e Technologia degli Alimenti e di Nutrizione Umana. Review of Science and Technology of Food and Human Nutrition. 6 (1976),161.
3.    

scu-mus TDLo:10 mg/kg:NEO

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB223-159 .
4.    

orl-rat LD50:1102 mg/kg

    BCTKAG    Bromatologia i Chemia Toksykologiczna. 8 (1975),373.
5.    

ivn-rat LD50:23 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 119 (1959),31.
6.    

orl-mus LD50:49,500 µg/kg

    BCTKAG    Bromatologia i Chemia Toksykologiczna. 8 (1975),373.
7.    

orl-dog LD50:100 mg/kg

    SPEADM    Special Publication of the Entomological Society of America. 78-1 (1978),25.
8.    

orl-rat LD50:1102 mg/kg

    BCTKAG    Bromatologia i Chemia Toksykologiczna. 8 (1975),373.
9.    

ihl-rat LC50:360 mg/m3/4 H

    PEMNDP    Pesticide Manual. 9 (1991),303.
10.    

ivn-rat LD50:23 mg/kg

 

Safety Profile

Poison by ingestion and intravenous routes. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. Questionable carcinogen with experimental neoplastigenic data. See NITRATES. When heated to decomposition it emits toxic fumes of NOx.
 

Hazard Codes: T,N
Risk Statements:
20:  Harmful by inhalation
22:  Harmful if swallowed 
38:  Irritating to the skin
43:  May cause sensitization by skin contact
48:  Danger of serious damage to health by prolonged exposure
50:  Very Toxic to aquatic organisms
53:  May cause long-term adverse effects in the aquatic environment
61:  May cause harm to the unborn child
Safety Statements:
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53:  Avoid exposure - obtain special instruction before use
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

 Dinocap (39300-45-3) also can be called Meptyldinocap ; (E)-4,6-Dinitrophenyl 2-(1-methylheptyl)-2-butenoate ; (E)-2-Butenoic Acid 2-(1-Methylheptyl)-4,6-dinitrophenyl Ester ;Antimony fluoride ; 2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate ; 2,4-Dinitro-6-(2-octanyl)phenyl-(2E)-2-butenoat .