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4-Hydroxy-2,5,6-trichloroisophthalonitrile

4-Hydroxy-2,5,6-trichloroisophthalonitrile structure

CAS No:
28343-61-5
Formula:
C8HCl3N2O
Chemical Name:
4-Hydroxy-2,5,6-trichloroisophthalonitrile
Synonyms:
1,3-Benzenedicarbonitrile,2,4,5-trichloro-6-hydroxy-;Isophthalonitrile,2,4,5-trichloro-6-hydroxy-;2,4,5-Trichloro-6-hydroxy-1,3-benzenedicarbonitrile;4-Hydroxy-2,5,6-trichloroisophthalonitrile;1,3-Dicyano-4-hydroxy-2,5,6-trichlorobenzene;2,5,6-Trichloro-4-hydroxy-1,3-benzenedicarbonitrile;SDS 3701;Hydroxychlorothalonil;4-Hydroxychlorothalonil;2,4,5-Trichloro-6-hydroxyisophthalonitrile

Description

ChEBI: A member of the class of trichlorophenols that is isophthalonitrile substituted at positions 2, 4 and 5 by chloro groups and at position 6 by a hydroxy group. The major metabolite of chlorothalonil.

4-hydroxychlorothalonil is a member of the class of trichlorophenols that is isophthalonitrile substituted at positions 2, 4 and 5 by chloro groups and at position 6 by a hydroxy group. The major metabolite of chlorothalonil. It has a role as a bacterial xenobiotic metabolite. It is a member of trichlorophenols and a nitrile. It derives from an isophthalonitrile. It is a conjugate acid of a 4-hydroxychlorothalonil(1-).

4-Hydroxy-2,5,6-trichloroisophthalonitrile Basic Attributes

Molecular Weight：

247.46534

Exact Mass：

247.47

UNII：

IQJ3P52AEE

DSSTox ID：

DTXSID90182586

HScode：

2926909090

Characteristics

PSA：

67.8

XLogP3：

3.09576

Density：

1.75g/cm3

Melting Point：

262-264 °C @ Solvent: Ethanol

Boiling Point：

355ºC at 760mmHg

Flash Point：

168.5ºC

Refractive Index：

1.659

Drug Information

MeSH：

Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc. (See all compounds classified as Fungicides, Industrial.)|Agents destructive to snails and other mollusks. (See all compounds classified as Molluscacides.)

MeSH Entry Terms：

Bravo

4-Hydroxy-2,5,6-trichloroisophthalonitrile Use and Manufacturing

Uses

Hydroxychlorothalonil is a metabolite of Chlorothalonil (C411250).

Use Classification：

Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

4-hydroxy-2,5,6-trichloroisophtalonitrile is a known environmental transformation product of chlorothalonil.|R182281 (SDS-19221) is a known environmental transformation product of Chlorothalonil.

Computed Properties

Molecular Weight:247.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:245.915446
Monoisotopic Mass:245.915446
Topological Polar Surface Area:67.8
Heavy Atom Count:14
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Hydroxy-2,5,6-trichloroisophthalonitrile

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

4-Hydroxy-2,5,6-trichloroisophthalonitrile

SDS

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