CAS 604-44-4 4-Chloro-1-naphthol (HCID 11787)

Overview

RN given refers to cpd with specified locants

Names & identifiers

Preferred name: 4-Chloro-1-naphthol
IUPAC: 4-chloronaphthalen-1-ol
English name: 4-Chloro-1-naphthol
Molecular formula: C10H7ClO
Molecular weight: 178.62

Names & synonyms

4-CHLORO-1-NAPHTHOL604-44-41-Naphthalenol, 4-chloro-1-Naphthol, 4-chloro-4-chloro-1-naphthalenolNSC-44345P4NNY2FQ2ADTXSID3060536RefChem:520789DTXCID2042804210-068-54-chloronaphthalen-1-ol

Show more names

4C1N4CN PLUSNSC 443454C1N/4-CNCHLORONAPTHOLCHLORONAPHTHOLChloro-1-naphtholNaphthol Impurity

1-Chloro-4-hydroxynaphthalene4-Chloro-1-hydroxynaphthaleneMFCD000039744-chloronaphthol4-Chloro-.alpha.-naphthol4-CN4-chloro-naphthalen-1-olSCHEMBL3935

Database identifiers

CAS: 604-44-4
PubChem CID: 11787
DTXSID: DTXSID3060536
ChEMBL: CHEMBL3310663
UNII: P4NNY2FQ2A
EC Number: 210-068-5
Nikkaji: J95.406C

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Naphthols

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP4.1

Vapor Pressure0.0001 [mmHg]

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 118 · 118-121 °C(lit.)
Boiling point: 254.41 °C · 254.41°C (rough estimate)
Density: density
refractive index: 1.4575 · 1.4575 (estimate)
Flash point: 73 °C · 73 °C
storage temp.: -20 °C · -20°C
solubility: 50 mg/mL, · methanol: 50 mg/mL, clear, colorless to very faintly yellow
form: tablets (~32 mg each)
pka: 9.11 · 9.11±0.40(Predicted)
color: Off-white to gray to light brown
BRN: 509750 · 509750
InChI: InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKey: LVSPDZAGCBEQAV-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=C(Cl)C=C1
CAS DataBase Reference: 604 · 604-44-4(CAS DataBase Reference)
FDA UNII: 4 NNY2FQ2A · P4NNY2FQ2A
EPA Substance Registry System: 1 · 1-Naphthalenol, 4-chloro- (604-44-4)
UNSPSC Code: 12352204 · 12352204
NACRES: 83 · NA.83
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,T
Risk Statements: 36 · 36/37/38-39/23/24/25-20/21/22
Safety Statements: 26 · 26-36-45-36/37
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
F: 8 · 8-9-23
TSCA: TSCA listed
HS Code: 29081990 · 29081990
Storage Class: 11 · 11 - Combustible Solids

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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Naphthalenol, 4-chloro-

1-Naphthalenol, 4-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Naphthol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 8-9-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29081990
risk_code: 36/37/38-39/23/24/25-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
safety_code: 26-36-45-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

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

Applications · 3 items

Uses4-Chloro-1-naphthol has been used to visualize protein bands in western blotting. It has also been used in staining polyvinylidene fluoride (PVDF) membrane by Nakane method.

UsesSuitable for visualizing protein-peroxidase conjugates in western blotting.

General Description4-Chloro-1-naphthol is primarily used for the detection of proteins, it gives a characteristic purple precipitate and the reactions are easily controllable. It can be used as a substitute for benzidine compounds, which are considered to be carcinogenic.