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1-Hydroxy-2-naphthoic acid

1-Hydroxy-2-naphthoic acid structure

CAS No:
86-48-6
Formula:
C11H8O3
Chemical Name:
1-Hydroxy-2-naphthoic acid
Synonyms:
2-Naphthalenecarboxylic acid,1-hydroxy-;2-Naphthoic acid,1-hydroxy-;1-Hydroxy-2-naphthalenecarboxylic acid;1-Hydroxy-2-naphthoic acid;1-Naphthol-2-carboxylic acid;2-Carboxy-1-naphthol;NSC 3717;Xinafoic acid;α-Hydroxy-β-naphthoic acid;1-Hydroxy 2-naphthalic acid;H 0279
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

beige to brown-grey powder

1-hydroxy-2-naphthoic acid is a naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms. It has a role as a bacterial xenobiotic metabolite and a fungal xenobiotic metabolite. It is a naphthoic acid, a member of naphthols and a hydroxy monocarboxylic acid. It derives from a 2-naphthoic acid. It is a conjugate acid of a 1-hydroxy-2-naphthoate.

1-Hydroxy-2-naphthoic acid Basic Attributes

Molecular Weight：

188.18

Exact Mass：

188.18

BRN：

974438

EC Number：

201-674-0

UNII：

U8LZ3R07L8

NSC Number：

3717

DSSTox ID：

DTXSID5058937

HScode：

29182910

Characteristics

PSA：

57.5

XLogP3：

2.6

Appearance：

White to slightly pink to tan or Powder or Crystals

Density：

1.43 g/cm³

Melting Point：

195 °C

Boiling Point：

150-160 °C @ Press: 0.1 Torr

Flash Point：

150 °C

Refractive Index：

1.716

Water Solubility：

soluble in hot water;alcohol: freely soluble

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39-37

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H302 (63.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 150 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-hydroxy-2-naphthoate

1-Hydroxy-2-naphthoic acid Use and Manufacturing

Methods of Manufacturing

Using 1-naphthol as raw material, in the solvent chlorobenzene, 1-naphthol sodium salt and carbon dioxide undergo carboxylation reaction to produce naphthyl carbonate sodium salt, and then molecular rearrangement to obtain 1-hydroxy-2-naphthoic acid sodium salt , And then acidified with hydrochloric acid to obtain 1-hydroxy-2-naphthoic acid. The industrial first-grade product is white powder with a content ≥98% and a melting point above 186℃. Raw material consumption quota: 1-naphthol 1160kg/t, liquid alkali (30%) 940kg/t, carbon dioxide 500kg/t.

Uses

Metabolite from phenanthrene degradation.

Manufacturing Info：

2-Naphthalenecarboxylic acid, 1-hydroxy-: ACTIVE

Computed Properties

Molecular Weight:188.18
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:188.047344113
Monoisotopic Mass:188.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:14
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

2-Methoxyethanol

Carbon dioxide

Sodium formate

Potassium bicarbonate

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Guide of 1-Hydroxy-2-naphthoic acid

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