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330-54-1

Basic Information
CAS No.: 330-54-1
Name: Diuron
Article Data: 44
Cas Database
Molecular Structure:
Molecular Structure of 330-54-1 (Diuron)
Formula: C9H10Cl2N2O
Molecular Weight: 233.097
Synonyms: Urea,N'-(3,4-dichlorophenyl)-N,N-dimethyl-;Herbatox;3-(3,4-dichlorophenyl)-1,1-dimethyl-urea;3-(3,4-Dichlorophenyl)-1,1-dimethylurea;Urea, 3- (3,4-dichlorophenyl)-1,1-dimethyl-;DP Hardener 95;HW 920;Karamex;Vonduron;1-(3,4-Dichlorophenyl)-3,3-dimethylurea;Urea, N- (3,4-dichlorophenyl)-N,N-dimethyl-;DCMU;DCMU 99;Karmex D;N-(3,4-Dichlorophenyl)-N, N-dimethylurea;Dailon;Dyhard UR 200;3- (3,4-Dichloor-fenyl)-1, 1-dimethylureum(DUTCH);Karmex DW;Dynex;Dichlorfenidim;Karmex Diuron Herbicide;Di-On;3-(3,4-Dichlorophenol)-1, 1-dimethylurea;N-(3,4-Dichlorophenyl)-N,N-dimethylurea;1, 1-Dimethyl-3-(3,4-dichlorophenyl)urea;Marmer;Duran;3- (3, 4-Dicloro-fenyl)-1,1-dimetil-urea(Italian);Lucenit;Karmex;Telvar Diuron Weed Killer;3- (3,4-Dichlor-phenyl)-1, 1-dimethyl-harnstoff(GERMAN);DMU;Diuron Tech (3-(3,4-Dichlorophenyl)-1,1-Dimethylurea);
EINECS: 206-354-4
Density: 1.369 g/cm3
Melting Point: 158-159 °C
Boiling Point: 385.2 °C at 760 mmHg
Flash Point: 186.7 °C
Solubility: 0.0042 g/100 mL in water
Appearance: white crystalline solid
Hazard Symbols: HarmfulXn, DangerousN, FlammableF
Risk Codes: 22-40-48/22-50/53-36-20/21/22-11
Safety: 13-22-23-37-46-60-61-2-36/37-26
Transport Information: UN 3077 9/PG 3
PSA: 32.34000
LogP: 3.15990
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Chemistry

Molecule structure of Diuron (CAS NO.330-54-1):

IUPAC Name: 3-(3,4-Dichlorophenyl)-1,1-dimethylurea 
Molecular Weight: 233.0945 g/mol
Molecular Formula: C9H10Cl2N2
Density: 1.369 g/cm3 
Melting Point: 158-159 °C
Boiling Point: 385.2 °C at 760 mmHg 
Flash Point: 186.7 °C
Index of Refraction: 1.605
Molar Refractivity: 58.66 cm3
Molar Volume: 170.1 cm3
Surface Tension: 48.1 dyne/cm 
Enthalpy of Vaporization: 63.39 kJ/mol
Vapour Pressure: 3.88E-06 mmHg at 25 °C 
Storage Temp.: approx 4 °C
Water Solubility: 0.0042 g/100 mL
XLogP3: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 232.017018
MonoIsotopic Mass: 232.017018
Topological Polar Surface Area: 32.3
Heavy Atom Count: 14
Canonical SMILES: CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI: InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
EINECS: 206-354-4
Product Categories: Organics; ACTIVE AGROCHEMICAL INGREDIENTS; INSECTICIDE; 2000/60/EC; Alpha sort; D; DAlphabetic; DIO - DIZMethod Specific; European Community: ISO and DIN; Pesticides&Metabolites

Uses

 Diuron (CAS NO.330-54-1) is used as a herbicide. It is also used to research energy flow in photosynthesis.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 unreported > 2gm/kg (2000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C115, 1991.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LD50 oral 1017mg/kg (1017mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA
Journal of Agricultural and Food Chemistry. Vol. 18, Pg. 1104, 1970.
 
rat LD50 skin > 5gm/kg (5000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C115, 1991.
rat LD50 unreported 3400mg/kg (3400mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 231, 1971.

Safety Profile

Hazard Codes: HarmfulXn, DangerousN, FlammableF
Risk Statements: 22-40-48/22-50/53-36-20/21/22-11 
R22:Harmful if swallowed. 
R40:Limited evidence of a carcinogenic effect. 
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R36:Irritating to eyes. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R11:Highly flammable.
Safety Statements: 13-22-23-37-46-60-61-2-36/37-26 
S13:Keep away from food, drink and animal foodstuffs. 
S22:Do not breathe dust. 
S23:Do not breathe vapour. 
S37:Wear suitable gloves. 
S46:If swallowed, seek medical advice immediately and show this container or label.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S2:Keep out of the reach of children. 
S36/37:Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: YS8925000
HazardClass: 9
PackingGroup: III

Specification

 Diuron (CAS NO.330-54-1) is also named as 1,1-Dimethyl-3-(3,4-dichlorophenyl)urea ; 1-(3,4-Dichlorophenyl)-3,3-dimethylurea ; 1-(3,4-Dichlorophenyl)-3,3-dimethyluree ; 1-(3,4-Dichlorophenyl)-3,3-dimethyluree [French] ; 3-(3,4-Dichlorophenyl)-1,1-dimethylurea ; 3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea ; 3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea [Italian] ; 4-12-00-01263 (Beilstein Handbook Reference) ; AF 101 ; AI3-61438 ; Anduron ; Ansaron ; BRN 2215168 ; Bioron ; CCRIS 1012 ; Caswell No. 410 ; Cekiuron ; Crisuron ; DCMU ; DCMU 99 ; Dirurol ; Ditox-800 ; Duran ; Durashield ; Dynex ; EPA Pesticide Chemical Code 035505 ; Farmco diuron ; HSDB 382 ; HW 920 ; Herbatox ; Herburon ; N'-(3,4-Dichlorophenyl)-N,N-dimethylurea ; N,N,-Dimethyl-N'-(3,4-dichlorophenyl)urea ; N-(3,4-Dichlorophenyl)-N',N'-dimethylurea ; NSC 8950 ; Preventol A 6 ; Seduron ; Sup'r flo ; Telvar diuron weed killer ; USAF P-7 ; USAF XR-42 ; Unidron ; Urox D ; Vonduron . Diuron (CAS NO.330-54-1) is a white crystalline solid. It is a wettable powder. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Diuron can cause illness by inhalation, skin absorption and/or ingestion. It is very slightly soluble in water. Diuron is incompatible with strong acids. It may cause irritation of nose and throat.