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| CAS No.: | 25059-80-7 |
|---|---|
| Name: | Benazolin-ethyl |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H10ClNO3S |
| Molecular Weight: | 271.724 |
| Synonyms: | 3-Benzothiazolineaceticacid, 4-chloro-2-oxo-, ethyl ester (6CI,7CI,8CI);4-Chloro-2-oxobenzothiazolin-3-ylaceticacid ethyl ester;Benazolin ethyl ester; |
| EINECS: | 246-591-0 |
| Density: | 1.418 g/cm3 |
| Melting Point: | 79 °C |
| Boiling Point: | 408.1 °C at 760 mmHg |
| Flash Point: | 200.6 °C |
| Hazard Symbols: |
 N
|
| Risk Codes: | 51/53 |
| Safety: | 61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 76.54000 |
| LogP: | 2.27950 |
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- 852475-26-4MC1568
- 25059-80-7
4-chloro-N-(ethoxycarbonylmethyl)-2(3H)-benzothiazolone
| Conditions | Yield |
|---|---|
| With sulfuric acid In toluene a) RT, 30 min, b) 20 deg C, 5 h; Yield given; |
- 2522-00-1
ethyl 2-((2-chlorophenyl)amino)acetate
- 25059-80-7
4-chloro-N-(ethoxycarbonylmethyl)-2(3H)-benzothiazolone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: N,N-dimethylaniline / toluene / 1 h / 0 °C 2: H2SO4 / toluene / a) RT, 30 min, b) 20 deg C, 5 h View Scheme |
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Chemistry
Molecule structure of Benazolin-ethyl (CAS NO.25059-80-7):
IUPAC Name: Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
Molecular Weight: 271.72 g/mol
Molecular Formula: C11H10ClNO3S
Density: 1.418 g/cm3
Melting Point: 79 °C
Boiling Point: 408.1 °C at 760 mmHg
Flash Point: 200.6 °C
Index of Refraction: 1.608
Molar Refractivity: 66.32 cm3
Molar Volume: 191.5 cm3
Polarizability: 26.29×10-24 cm3
Surface Tension: 53.9 dyne/cm
Enthalpy of Vaporization: 66.01 kJ/mol
Vapour Pressure: 7.16E-07 mmHg at 25 °C
Water Solubility: 47 mg/L
XLogP3-AA: 2.8
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 271.006992
MonoIsotopic Mass: 271.006992
Topological Polar Surface Area: 46.6
Heavy Atom Count: 17
Complexity: 326
Canonical SMILES: CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O
InChI: InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/
h3-5H,2,6H2,1H3
InChIKey: WQRCEBAZAUAUQC-UHFFFAOYSA-N
EINECS: 246-591-0
Product Categories: HERBICIDE
Uses
Benazolin-ethyl (CAS NO.25059-80-7) is used as a herbicide.
Toxicity Data With Reference
| 1. | orl-rat LD50:>5 g/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C151. | ||
| 2. | ihl-rat LC50:>5500 mg/m3/4H | PEMNDP Pesticide Manual. 9 (1991),52. | ||
| 3. | skn-rat LD50:>2100 mg/kg | PEMNDP Pesticide Manual. 9 (1991),52. | ||
| 4. | orl-mus LD50:>4 g/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C151. | ||
| 5. | orl-dog LD50:>5 g/kg | PEMNDP Pesticide Manual. 9 (1991),52. | ||
| 6. | orl-qal LD50:>6 g/kg | PEMNDP Pesticide Manual. 9 (1991),52. | ||
| 7. | orl-dck LD50:>3 g/kg | PEMNDP Pesticide Manual. 9 (1991),52. |
Safety Profile
Hazard Codes: 
N
Risk Statements: 51/53
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
RTECS: DL0880000
Moderately toxic by ingestion and skin contact. Low toxicity by ingestion. inhalation. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
Specification
Benazolin-ethyl (CAS NO.25059-80-7) is also named as 3-Benzothiazolineacetic acid, 4-chloro-2-oxo-, ethyl ester ; 4-Chloro-2-oxo-3(2H)-benzothiazole acetic acid ethyl ester ; BRN 0753659 ; Benazolin ethyl ester ; Benazolin ethyl ester [ANSI] ; Caswell No. 202B ; EPA Pesticide Chemical Code 126801 ; Ethyl 4-chloro-2-oxo-3(2H)-benzothiazoleacetate . Benazolin-ethyl (CAS NO.25059-80-7) is stimulate to skin and eye.