Products Categories
CAS No.: | 50-73-7 |
---|---|
Name: | 2,3,5-Trichlorobenzoic acid |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H3Cl3O2 |
Molecular Weight: | 225.459 |
Synonyms: | 2,3,5-Trichlorobenzoicacid;2,3,5-TBA;2,3,5-Trichlorobenzoic; |
EINECS: | 210-380-1 |
Density: | 1.635 g/cm3 |
Melting Point: | 166-167 °C(lit.) |
Boiling Point: | 329.4 °C at 760 mmHg |
Flash Point: | 153 °C |
Appearance: | light beige crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 37.30000 |
LogP: | 3.34500 |
What can I do for you?
Get Best Price
The 2,3,5-Trichlorobenzoic acid, with the CAS registry number 50-73-7, is also known as Benzoic acid, 2,3,5-trichloro-. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C7; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 210-380-1. This chemical's molecular formula is C7H3Cl3O2 and molecular weight is 225.46. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry place.
Physical properties about 2,3,5-Trichlorobenzoic acid are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.31; (8)ACD/KOC (pH 7.4): 2.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 47.86 cm3; (15)Molar Volume: 137.8 cm3; (16)Surface Tension: 56 dyne/cm; (17)Density: 1.635 g/cm3; (18)Flash Point: 153 °C; (19)Enthalpy of Vaporization: 60.37 kJ/mol; (20)Boiling Point: 329.4 °C at 760 mmHg; (21)Vapour Pressure: 7.14E-05 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(C(=O)O)cc(Cl)cc1Cl
(2) InChI: InChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
(3) InChIKey: CGFDSIZRJWMQPP-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 300mg/kg (300mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964. |