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Name |
Carboxin |
EINECS | 226-031-1 |
CAS No. | 5234-68-4 | Density | 1.273 g/cm3 |
PSA | 63.63000 | LogP | 2.69300 |
Solubility | 10.095 g/100 mL in water | Melting Point |
91.1-91.7 °C |
Formula | C12H13NO2S | Boiling Point | 420.6 °C at 760 mmHg |
Molecular Weight | 235.307 | Flash Point | 208.2 °C |
Transport Information | N/A | Appearance | Off-white crystals |
Safety | 36-26 | Risk Codes | 36/37/38-20/21/22 |
Molecular Structure | Hazard Symbols | Xn,Xi | |
Synonyms |
1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene;2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin;2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide;2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide;5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide;Carbathiin;Carboxine;Fenoxan;Karboxyn;N-Phenyl-2-methyl-5,6-dihydrooxathiin-3-carboxamide;NSC 263492;Vitavax 735D;Vitavax 75W;Vitavax EC 200;Carboxin; |
Article Data | 14 |
Carboxine is an fungicide used for the control of fruit rot of custard apple.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - wild | LD50 | oral | 42200ug/kg (42.2mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
chicken | LD50 | oral | 24gm/kg (24000mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Veterinariya. Veterinary Science. Vol. 54(6), Pg. 85, 1978. |
mammal (species unspecified) | LD50 | unreported | 3200mg/kg (3200mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 423, 1971. | |
mouse | LD50 | oral | 3200mg/kg (3200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(2), Pg. 55, 1979. |
rabbit | LD50 | skin | 8gm/kg (8000mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1104, 1986. | |
rat | LC50 | inhalation | > 20gm/m3/1H (20000mg/m3) | Pesticide Manual. Vol. 9, Pg. 130, 1991. | |
rat | LD50 | oral | 430mg/kg (430mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(2), Pg. 55, 1979. |
rat | LD50 | skin | 1050mg/kg (1050mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(2), Pg. 55, 1979. |
Safety Info | |
RTECS: | RP4550000 |
---|---|
Safety Statements: | 36-26 |
HS Code: | 2934999038 |
WGK Germany: | 3 |
Risk Statements: | R21/22 |
Hazard Codes: | Xi; Xn |
The Carboxin, with the CAS registry number 5234-68-4, is also known as 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide. It belongs to the product categories of Amide Structure Alphabetic; C; CA - CGPesticides; Fungicides; Oxathins; Pesticides. Its EINECS registry number is 226-031-1. This chemical's molecular formula is C12H13NO2S and molecular weight is 235.30. What's more, its IUPAC name is called 6-Methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide. The Carboxin should be stored in a cool, dry and well-ventilated place.
Physical properties about Carboxin are: (1)ACD/LogP: 1.844; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.83; (6)ACD/BCF (pH 7.4): 14.83; (7)ACD/KOC (pH 5.5): 239.85; (8)ACD/KOC (pH 7.4): 239.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.63 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 66.271 cm3; (15)Molar Volume: 184.837 cm3; (16)Polarizability: 26.272×10-24cm3; (17)Surface Tension: 53.91 dyne/cm; (18)Density: 1.273 g/cm3; (19)Flash Point: 208.152 °C; (20)Enthalpy of Vaporization: 67.445 kJ/mol; (21)Boiling Point: 420.567 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Carboxin: this chemical can be prepared by a-(2-methyl-1,3-oxathiolan-2-yl)acetanilide. This reaction needs reagent NBS and solvent CHCl3 at ambient temperature. The reaction time is 30 min. The yield is 92 %.
Uses of Carboxin: (1) it is used as systemic fungicide and wood preservative; (2) it is used to produce other chemicals. For example, it can produce 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbanilide-4-oxide, acetic acid 2-phenylaminooxalylsulfanyl-ethyl ester and 2-(2-methyl-3-oxo-3l4-[1,3]oxathiolan-2-yl)-2-oxo-N-phenyl-acetamide. This reaction needs reagents tetraphenylporphyrin, O2 and solvent CH2Cl2 at temperature of -20 °C. The reaction time is 150 min. The yield is 29 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. It may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C=1SCCOC=1C)Nc2ccccc2
(2) InChI: InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
(3) InChIKey: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 94 | deg C | EXP | |
log P (octanol-water) | 2.14 | (none) | EXP | |
Water Solubility | 199 | mg/L | 25 | EXP |
Vapor Pressure | 1.80E-07 | mm Hg | 25 | EXP |
Henry's Law Constant | 2.80E-10 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.27E-10 | cm3/molecule-sec | 25 | EST |