4-(2,4,5-Trichlorophenoxy)butyric acid supplier

Name
2,4,5-TB
EINECS 202-278-0
CAS No. 93-80-1
Density 1.465g/cm³
Solubility 42mg/L(25 oC)
Melting Point 114.5°C
Formula C10H9 Cl3 O3
Boiling Point 438.1°C at 760 mmHg
Molecular Weight 283.539
Flash Point 218.8°C
Transport Information
Appearance
Safety An experimental teratogen. When heated to decomposition it emits toxic fumes of Cl⁻.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 4-(2,4,5-trichlorophenoxy)- (6CI,7CI,8CI);2,4,5-TB;4-(2,4,5-Trichlorophenoxy)butanoic acid;4-(2,4,5-Trichlorophenoxy)butyricacid;NSC 102787;g-(2,4,5-Trichlorophenoxy)butyric acid;
PSA 46.53000
LogP 3.89040

4-(2,4,5-Trichlorophenoxy)butyric acid Specification

The 4-(2,4,5-Trichlorophenoxy)butanoic acid, with the CAS registry number 93-80-1. It belongs to the product categories of organic matters.This chemical's molecular formula is C₁₀H₉Cl₃O₃ and molecular weight is 283.53. What's more, its systematic name is 2,4,5-TB. An experimental teratogen. When heated to decomposition it emits toxic fumes of Cl⁻.

Physical properties about 4-(2,4,5-Trichlorophenoxy)butanoic acid are: (1)ACD/LogP: 4.067; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 72.52; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 388.24; (8)ACD/KOC (pH 7.4): 6.10; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 63.08 cm³; (14)Molar Volume: 193.434 cm³; (15)Surface Tension: 49.3540000915527 dyne/cm; (16)Density: 1.466 g/cm³; (17)Flash Point: 218.774 °C; (18)Enthalpy of Vaporization: 73.239 kJ/mol; (19)Boiling Point: 438.131 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:Clc1cc(OCCCC(=O)O)c(Cl)cc1Cl;
(2)InChI:InChI=1S/C10H9Cl3O3/c11-6-4-8(13)9(5-7(6)12)16-3-1-2-10(14)15/h4-5H,1-3H2,(H,14,15);
(3)InChIKey:RTWCZQFXFMXXKP-UHFFFAOYSA-N;

Product Name

2,4,5-TB

4-(2,4,5-Trichlorophenoxy)butyric acid Specification

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