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1,4-Naphthalenediol

1,4-Naphthalenediol structure

CAS No:
571-60-8
Formula:
C10H8O2
Chemical Name:
1,4-Naphthalenediol
Synonyms:
1,4-Naphthalenediol;Naphthohydroquinone;1,4-Dihydroxynaphthalene;Hydronaphthoquinone;1,4-Naphthohydroquinone;α-Naphthoquinhydrone;1,4-Naphthoquinol
Categories:
Chemical Reagents > Organic Reagents

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Description

brown to greyish powder

Naphthalene-1,4-diol is a naphthalenediol and a naphthohydroquinone.

1,4-Naphthalenediol Basic Attributes

Molecular Weight：

160.17

Exact Mass：

160.17

EC Number：

209-336-4

UNII：

AML1P6T42C

DSSTox ID：

DTXSID5060350

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

1.88

Density：

1.3±0.1 g/cm3

Melting Point：

123 °C @ Solvent: Acetic acid

Boiling Point：

391.0±15.0 °C at 760 mmHg

Flash Point：

202.5±15.0 °C

Refractive Index：

1.726

Water Solubility：

H2O: slightly soluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41-43-36/37/38-25

safety instructions：

26-39-45-36/37/39-28A-24

RTECS Number：

QJ4730000

Marks：

Xn,T

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,4-dihydroxynaphthalene

1,4-Naphthalenediol Use and Manufacturing

Manufacturing Info：

1,4-Naphthalenediol: ACTIVE

Use Classification：

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

Agrochemical：

1,4-Dihydroxynaphthalene is a known environmental transformation product of Quinoclamine.

Computed Properties

Molecular Weight:160.17
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:160.052429494
Monoisotopic Mass:160.052429494
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes