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Home > Encyclopedia > 2,3,5-Trichlorobenzoic acid

2,3,5-Trichlorobenzoic acid

2,3,5-Trichlorobenzoic acid structure

2,3,5-Trichlorobenzoic acid 

structure

Description

light beige crystalline powder


2,3,5-trichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2,3 and 5 are substituted by chloro groups. It has a role as a bacterial xenobiotic metabolite. It is a trichlorobenzene and a chlorobenzoic acid. It is a conjugate acid of a 2,3,5-trichlorobenzoate.

2,3,5-Trichlorobenzoic acid Basic Attributes

225.456

225.46

DTXSID8074285

2916399090

Characteristics

37.30000

3.87

1.6±0.1 g/cm3

164 °C

329.4±37.0 °C at 760 mmHg

153.0±26.5 °C

1.611

3.11e-04 mmHg

Safety Information

NONH for all modes of transport

3

R36/37/38

S26-S37/39

DH7525000

Xi:Irritant;

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3,5-Trichlorobenzoic acid Use and Manufacturing

Benzoic acid, 2,3,5-trichloro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:225.5
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:223.919862
Monoisotopic Mass:223.919862
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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