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Basic Information

Molecular Structure:
CAS No.:	330-54-1
Name:	Diuron
Article Data:	44

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:	Xn, N, F
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

Raw Materials

2327-02-8

10248-88-1

102-36-3

7159-94-6

79-44-7

95-76-1

2150-28-9

201230-82-2

Downstream Products

124-38-9

95-76-1

74-89-5

102-36-3

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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: C₉H₁₀Cl₂N₂O
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: Harmful Xn, Dangerous N, Flammable F
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.