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3,5-Dichloro-4-hydroxybenzoic acid

3,5-Dichloro-4-hydroxybenzoic acid structure

CAS No:
3336-41-2
Formula:
C7H4Cl2O3
Chemical Name:
3,5-Dichloro-4-hydroxybenzoic acid
Synonyms:
Benzoic acid,3,5-dichloro-4-hydroxy-;3,5-Dichloro-4-hydroxybenzoic acid;NSC 21185;4-Hydroxy-3,5-dichlorobenzoic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

White to light yellow crystal powder

3,5-dichloro-4-hydroxybenzoic acid is a derivative of p-salicylic acid with chloro- substituents at C-3 and C-5 of the benzene ring. It is a monohydroxybenzoic acid and a dichlorobenzene. It derives from a benzoic acid and a 4-hydroxybenzoic acid. It is a conjugate acid of a 3,5-dichloro-4-hydroxybenzoate.

3,5-Dichloro-4-hydroxybenzoic acid Basic Attributes

Molecular Weight：

207.01

Exact Mass：

207.01

EC Number：

222-071-9

NSC Number：

21185

DSSTox ID：

DTXSID60186975

HScode：

2918290000

Characteristics

PSA：

57.5

XLogP3：

2.6

Density：

1.7±0.1 g/cm3

Melting Point：

255-256 °C (decomp)

Boiling Point：

328.2°C at 760 mmHg

Flash Point：

152.3±27.9 °C

Refractive Index：

1.641

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

DG7502000

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,5-Dichloro-4-hydroxybenzoic acid Use and Manufacturing

Methods of Manufacturing

10 mLof 33percent hydrogen peroxide was added to a suspension of 3.5 g (0.025 mol) of 4-hydroxybenzoic acid I in10 mL of hydrochloric acid and 20 mL of water. The formed white precipitate was filtered off, washed with hot water, and recrystallized from ethanol. Yield 3.19 g (63.5percent), white crystals, mp 265°C. 1H NMR spectrum, , ppm: 7.84 s (2H, H2, 6). Found, percent: C40.64; H 1.87; Cl 34.34. C7H4Cl2O2. Calculated, percent: C40.58; H 1.93; Cl 34.30.10 mLof 33percent hydrogen peroxide was added to a suspension of 3.5 g (0.025 mol) of 4-hydroxybenzoic acid I in10 mL of hydrochloric acid and 20 mL of water. The formed white precipitate was filtered off, washed with hot water, and recrystallized from ethanol. Yield 3.19 g (63.5percent), white crystals, mp 265°C. 1H NMR spectrum, , ppm: 7.84 s (2H, H2, 6). Found, percent: C40.64; H 1.87; Cl 34.34. C7H4Cl2O2. Calculated, percent: C40.58; H 1.93; Cl 34.30.

Use Classification：

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

Agrochemical：

Ph-COOH is a known environmental transformation product of Tolclofos-methyl.

Computed Properties

Molecular Weight:207.01
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:205.9537494
Monoisotopic Mass:205.9537494
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,5-Dichloro-4-hydroxybenzoic acid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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3,5-Dichloro-4-hydroxybenzoic acid

CAS No.: 3336-41-2

Content: 99.00%

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
4 YRS

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3,5-Dichloro-4-hydroxybenzoic acid 99%

CAS No.: 3336-41-2

Content: 99%

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Guide of 3,5-Dichloro-4-hydroxybenzoic acid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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