Basic information
- Name:
Acetic acid,2-(2,4-dichlorophenoxy)-, 4-chloro-2-buten-1-yl ester
- CAS No.:
2971-38-2
- Molecular Structure:
- Formula:
- C12H11 Cl3 O3
- Molecular Weight:
- 309.58
- Synonyms:
- Aceticacid, (2,4-dichlorophenoxy)-, 4-chloro-2-butenyl ester (6CI,7CI,8CI,9CI); 2,4-DChlorocrotyl ester; Crotilin; Crotiline; Crotylin; Krotilin; Krotiline
- Density:
- 1.355g/cm3
- Boiling Point:
- 413.2°Cat760mmHg
- Flash Point:
- 165.9°C
- Hazard Symbols:
- Moderately toxic by ingestion and inhalation.
- Safety Description:
- Moderately toxic by ingestion and inhalation. When heated to decomposition it emits toxic vapors of Cl−. Details
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Chemistry
IUPAC Name: [(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate
Empirical Formula: C12H11Cl3O3
Molecular Weight: 309.5729g/mol
XLogP3: 4
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Exact Mass: 307.977377
MonoIsotopic Mass: 307.977377
Topological Polar Surface Area: 35.5
Heavy Atom Count: 18
Formal Charge: 0
Complexity: 284
Index of Refraction: 1.548
Molar Refractivity: 72.56 cm3
Molar Volume: 228.3 cm3
Polarizability: 28.76 10-24cm3
Surface Tension: 43 dyne/cm
Density: 1.355 g/cm3
Flash Point: 165.9 °C
Enthalpy of Vaporization: 66.6 kJ/mol
Boiling Point: 413.2 °C at 760 mmHg
Vapour Pressure: 4.88E-07 mmHg at 25°C
Structure of Krotiline (CAS NO.2971-38-2):
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Toxicity Data With Reference
| 1. | orl-rat LD50:547 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,35. | ||
| 2. | orl-mus LD50:489 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,35. | ||
| 3. | ihl-mus LC50:2190 mg/m3/2H | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,35. | ||
| 4. | orl-rbt LD50:784 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,35. |
Safety Profile
Moderately toxic by ingestion and inhalation. When heated to decomposition it emits toxic vapors of Cl−.
RIDADR: 3345
HazardClass: 6.1(b)
PackingGroup: III
Specification
Krotiline , its cas register number is 2971-38-2. It also can be called 2,4-D chlorocrotyl ester ; 2,4-D esters ; 2,4-D, alpha-Chlorocrotyl ester ; 2,4-Dichlorophenoxyacetic acid, 4-chlorocrotonyl ester ; Acetic acid, (2,4-dichlorophenoxy)-, 4-chloro-2-butenyl ester ; Chlorocrotyl ester of 2,4-D and Crotiline . Krotiline (CAS NO.2971-38-2) is moderately toxic by ingestion and inhalation. When heated to decomposition it emits toxic vapors of Cl−.