1,5-Dihydroxynaphthalene

1,5-DIHYDROXYNAPHTHALENE · Naphthalene-1,5-diol · 1,5-NAPHTHALENEDIOL · CI 76625 · c.i.76625 · C.I. 76625 · oxidationbase · Oxidation Base

https://huagongshe.com/en/chemical/6749

1,5-Dihydroxynaphthalene molecular structure

Identifiers & Physical Properties

CAS No.	83-56-7
Molecular formula	C10H8O2
Average molar mass	160.17 g/mol
Monoisotopic mass	160.0524295 g/mol
SMILES	Oc1cccc2c(O)cccc12
InChIKey	BOKGTLAJQHTOKE-UHFFFAOYSA-N
PubChem CID	6749
ChEMBL	CHEMBL204658
EC No.	201-487-4
DTXSID	DTXSID2052574

Chemical & Physical Properties

XLogP	1.8
Topological polar surface area	40.5
Hydrogen bond donors	2
Hydrogen bond acceptors	2
Rotatable bonds	0
Heavy atoms	12
Formal charge	0
Complexity	140
Chemical classes	Other Classes -> Naphthols
Cosmetics	Hair dyeing
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP (partition coefficient)	1.82
Solubility	Solubility in water, g/100ml at 20 °C: 0.060.6g/lSoluble in water.
Flash point	252 °C252 °C c.c.252°C
Decomposition	250 °C
Vapor pressure	0.00000715 [mmHg]0-0Pa at 25℃
Physical Description	Orange powder[ICSC]ORANGE POWDER.
Collision Cross Section	131.0 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2052574]134.35 Å² [M-H]- [CCS Type: DTMethod: stepped-field]133.2 Å² [M-H]-
Melting point	259-261 °C (dec.) (lit.)
Boiling point	246.06°C (rough estimate)
Density	1.0924 (rough estimate)
Refractive index	1.5418 (estimate)
Storage conditions	Inert atmosphere,Room Temperature
pKa (acidity coefficient)	9.28±0.40(Predicted)
Physical state	Solid
Color	Pale Beige to Very Dark Brown
pH	6 (0.5g/l, H2O, 20℃)
BRN	2044951
Cosmetics Ingredients Functions	HAIR DYEING
InChI	1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
InChIKey	BOKGTLAJQHTOKE-UHFFFAOYSA-N
SMILES	Oc1cccc2c(O)cccc12
LogP (partition coefficient)	1.7-1.82 at 23℃
CAS DataBase Reference	83-56-7(CAS DataBase Reference)
EWG's Food Scores	1-3
FDA UNII	P25HC23VH6
NIST Chemistry Reference	1,5-Naphthalenediol(83-56-7)
EPA Substance Registry System	1,5-Naphthalenediol (83-56-7)
UNSPSC Code	41116107
NACRES	NA.22
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H319
GHS precautionary statements	P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Personal protective equipment (PPE)	dust mask type N95 (US), Eyeshields, Gloves
Hazard symbols	Xn,N,Xi
Risk statements (R)	22-51/53-36-36/37/38
Safety statements (S)	22-24/25-61-39-29-26
Water hazard class (WGK)	2
RTECS number	QJ4740000
F	8-21
TSCA inventory status	TSCA listed
Customs code	29072900
Storage class	11 - Combustible Solids
Hazard class	Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B
REACH registrations	Active

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports.WarningH302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	Chemical: 1,5-NaphthalenediolStatus: Active Update: 25-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/273201,5-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Other safety information	IMAP assessments - 1,5-Naphthalenediol: Human health tier II assessment
Fire hazards	Combustible.
Hazards summary	A mild eye irritant[ICSC] A skin and eye irritantMay be harmful if ingested[MSDSonline] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Chemical Dangers	On combustion, forms toxic fumes. Reacts with strong oxidants.
Hazard Classes and Categories	Acute Tox. 4 (77.8%)Acute toxicity - category 4
Fire fighting	Use water spray, powder.
First aid measures	Fresh air, rest.Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth.
Safe storage	Separated from strong oxidants.
Spillage disposal	Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

Applications & Uses

Uses

1,5-Dihydroxynaphthalene is an intermediate of synthetic mordant azo dyes. It is an intermediate used in organic synthesis, pharmaceuticals, dyestuff fields and photograph industry. It is used as a coupling component in azo dyes as exemplified in the metallizable (Cr) wool dye, C.I. Mordant Black 9.