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2971-38-2

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Basic Information
CAS No.: 2971-38-2
Name: Acetic acid, 2,4-dichlorophenoxy-, 4-chloro-2-butenyl ester
Molecular Structure:
Molecular Structure of 2971-38-2 (Acetic acid, 2,4-dichlorophenoxy-, 4-chloro-2-butenyl ester)
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: Moderately toxic by ingestion and inhalation. When heated to decomposition it emits toxic vapors of Cl−.
PSA: 35.53000
LogP: 4.05640
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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):

 

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−.