Basic information
- CAS
529-36-2- Standard SMILES
Sc1cccc2ccccc12- InChIKey
SEXOVMIIVBKGGM-UHFFFAOYSA-N- Molecular formula
- C10H8S
- Average molar mass
- 160.24 g/mol
- Monoisotopic mass
- 160.03467126
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Naphthalenethiol
- IUPAC
- naphthalene-1-thiol
- English name
- 1-Naphthalenethiol
- Molecular formula
- C10H8S
- Molecular weight
- 160.24
Names & synonyms
1-Naphthalenethiol529-36-29A78CP495HDTXSID6060185RefChem:76522DTXCID3041320208-462-7naphthalene-1-thiol1-Thionaphthol1-Mercaptonaphthalene1-Naphthyl mercaptannaphthalenethiol
Show more names
AI314854AI3 14854AI3-148541-THIONAPHTOLα-NaphthalenethiolNaphthalin-1-thiol1-Thionaphthol,99%
MFCD00039599.alpha.-ThionaphtholCHEMBL40948741-Naphthylthiol.alpha.-Naphthyl mercaptanUNII-9A78CP495Hnaphthalene thiol1-napthalenethiol
Database identifiers
- CAS
529-36-2- PubChem CID
- 68259
- DTXSID
DTXSID6060185- ChEMBL
CHEMBL4094874- UNII
- 9A78CP495H
- EC Number
- 208-462-7
- Nikkaji
- J7.419E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 15 °C · 15 °C
- Boiling point
- 131 °C · 131 °C (5 mmHg)
- Density
- 1.15 · 1.15
- refractive index
- 1.679 · 1.679-1.681
- Flash point
- 110 °C · >110°C
- form
- Liquid
- pka
- 6 · 6+-.0.30(Predicted)
- color
- Clear light yellow to yellow
- Water Solubility
- Soluble in diethyl ether and ethanol. Slightly soluble in water and dilute alkalis.
- InChI
- InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
- InChIKey
- SEXOVMIIVBKGGM-UHFFFAOYSA-N
- SMILES
- C1(S)=C2C(C=CC=C2)=CC=C1
- FDA UNII
- 9 A78CP495H · 9A78CP495H
- EPA Substance Registry System
- 1 · 1-Naphthalenethiol (529-36-2)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- Hazard Codes
- Xn,N
- Risk Statements
- 20 · 20/21/22-36/37/38-51-22
- Safety Statements
- 24 · 24/25-61
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29309099 · 29309099
- Storage Class
- 12 · 12 - Non Combustible Liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29309099
- risk_code
- 20/21/22-36/37/38-51-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N
- safety_code
- 24/25-61
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenethiol: INACTIVE
Applications
Uses1-Thionaphthol is used to produce the di-[1]naphthyl disulfide. It is also used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Uses1-NAT can be used as a model analyte to characterize the performance of the surface enhanced raman scattering (SERS).
General Description1-Naphthalenethiol (1-NAT) is a standard analyte that can be diffused in the polymeric network for the detection of optical properties.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers51 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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Related reactions
23 records
Compound notes
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