CAS 84-85-5 4-Methoxy-1-naphthol (HCID 66542)

Overview

4-Methoxy-1-naphthol is a member of naphthols.

Names & identifiers

Preferred name: 4-Methoxy-1-naphthol
IUPAC: 4-methoxynaphthalen-1-ol
English name: 4-Methoxy-1-naphthol
Molecular formula: C11H10O2
Molecular weight: 174.2

Names & synonyms

4-Methoxy-1-naphthol4-methoxynaphthalen-1-ol84-85-5walrycin A1-Naphthalenol, 4-methoxy-7CC5CL28DKDTXSID8058908RefChem:99562DTXCID6048383201-566-31-Hydroxy-4-methoxynaphthalene4-methoxynaphthol

Show more names

C.I.766204-Methoxy-1-naphthol>4-methoxy-1-naphthalenoUrsol Grounding Blue BL4-Methoxy-1-naphthol 98%4-Methoxy-1-naphthol, 98+%

4-methoxy-1-naphthalenolMFCD000039764-methoxy-naphthalen-1-ol4-methoxynaphth-1-ol1,4-Naphthohydroquinone monomethyl ether1,4-dihydroxynaphthalene monomethyl etherDS-11800SY045974

Database identifiers

CAS: 84-85-5
PubChem CID: 66542
DTXSID: DTXSID8058908
ChEBI: CHEBI:191503
UNII: 7CC5CL28DK
EC Number: 201-566-3
Nikkaji: J40.492F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 169

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Melting Point124 - 126 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 126 · 126-129 °C (lit.)
Boiling point: 265.17 °C · 265.17°C (rough estimate)
Density: 1.0844 · 1.0844 (rough estimate)
refractive index: 1.525 · 1.5250 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 10.24 · 10.24±0.40(Predicted)
color: Pale Purple to Light Purple
Water Solubility: Soluble in water.
BRN: 1818465 · 1818465
InChI: InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
InChIKey: BOTGCZBEERTTDQ-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=C(OC)C=C1
CAS DataBase Reference: 84 · 84-85-5(CAS DataBase Reference)
FDA UNII: 7 CC5CL28DK · 7CC5CL28DK
EPA Substance Registry System: 1 · 1-Naphthalenol, 4-methoxy- (84-85-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29095000 · 29095000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29095000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

General Manufacturing Information1-Naphthalenol, 4-methoxy-: ACTIVE

Applications · 2 items

Uses4-Methoxynaphthalen-1-ol is a novel antibacterial compound targeting the WalK/WalR two-component signal transduction system of Gram (+) bacteria. walrycin A is a novel human PXR activator, that induces human PXR transcriptional activity. 4-Methoxynaphthalen-1-ol is a WalR inhibitors, a novel antibacterial compound specifically targeting essential WalR response regulator.

Uses4-Methoxy-1-naphthol was used in the synthesis of 3-(4-hydroxy-1-naphthoxy)lactic acid (4-HO-NLA).

Upstream & downstream products

Upstream raw materials

Naphthalene, 1-(2-chloroethoxy)-4-methoxy-2-Hydroxy1-methoxynaphthalene 1-(2-bromoethoxy)-4-methoxynaphthalene 1(4H)-Naphthalenone, 4,4-dimethoxy-1-Methoxynaphthalene 2-Methoxyfuran 4-Methoxy-1-naphthaldehyde Methyl 2-bromobenzoate 1,4-Dihydroxynaphthalene Methanol Dimethyl sulfate Iodomethane

Downstream products

4-Methoxy-2-phenylazo-1-naphthol

Suppliers93 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: 4-Methoxy-1-naphthol is a member of naphthols.

Related reactions

22 records

New reaction record

HRID 5295As reactantuspto-grants-1993_09

HRID 17715As reactantuspto-grants-2010_06

HRID 46416As reactantuspto-grants-1979_11

HRID 168765As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 177556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 257129As reactantuspto-grants-1993_11

HRID 613946As reactantuspto-grants-1979_03

HRID 857069As reactantuspto-grants-2006_12

Compound notes

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Basic information