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Home> Hot Product Listed S   > STK023552
18531-99-2 structure

STK023552

Iupac Name:1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CAS No.:18531-99-2
Molecular Weight:286.32
Molecular Formula:C18H24N4O4S2 (isomer)
Names and Identifiers
Synonyms

2-chloro-4-({[(3-isopropoxyphenyl)formamido]methanethioyl}amino)benzoic acid 2-chloro-4-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid 2-chloro-4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid AC1MVQNR AKOS000474982 BG01377145 MCULE-2337330492 MOLPORT-002-599-894 STOCK4S-08381 ZINC5046939

Inchi
InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChkey
PPTXVXKCQZKFBN-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O
Properties
Melting Point
215-218 °C
Refractive Index
-36.0 ° (C=1, THF)
Alpha
35.5 o (C=1, THF)
HS Code
29072900
Safety and Handling
Risk Statements
25-36-36/37/38
Safety Statements
26-45-24/25-36
HazardClass
6.1
PackingGroup
III
Transport
UN 2811 6.1/PG 3
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Reuter Chemische Apparatebau e.K. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:286.32g/mol
  • Molecular Formula:C18H24N4O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:286.099
  • Monoisotopic Mass:286.099
  • Complexity:346
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADBVAAAGgAACAAADASAmAAwBsAAAgCA AiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAfAwPAOoAADAAAYAABAAAYAADAAAAAAAAAA AA==
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  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
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  • Fax:86-25-83453275
  • Tel:86-571-87396430
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