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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-(phenylamino)-
557-61-9 structure

5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-(phenylamino)-

Iupac Name:octacosan-1-ol
CAS No.:557-61-9
Molecular Weight:410.75952
Molecular Formula:C34H56O12SN2 (isomer)
Names and Identifiers
Synonyms

[4-(4-chlorophenyl)-2-(phenylamino)-1,3-thiazol-5-yl]acetic acid [4-(4-chloro-phenyl)-2-phenylamino-thiazol-5-yl]-acetic acid 2-(4-(4-chlorophenyl)-2-(phenylamino)thiazol-5-yl)acetic acid 2-(phenylamino)-4-(4-chlorophenyl)thiazole-5-acetic acid 2-[2-anilino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid 5-thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)- AC1L4FPE AC1Q3SET AKOS000594108 AR-1A8986 BAS 03087977 bdbm50309259 BG01057890 CHEBI:698941 chembl591519 CTK4J1672 DTXSID10198043 HE274267 HMS2656K13 KST-1A5813 MLS000703433 MolPort-001-988-320 NCGC00245350-01 OPREA1_797041 SCHEMBL11852874 smr000273897 ZINC4636253

Inchi
InChI=1/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
InChkey
CNNRPFQICPFDPO-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Isomers Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Properties
Density
1.24
Melting Point
83.3℃
Refractive Index
1.458
Flash Point
248.4°C
HS Code
2905199090
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S22;S24/25
PackingGroup
I; II; III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:410.75952g/mol
  • Molecular Formula:C34H56O12SN2
  • XLogP3-AA:13.8
  • Exact Mass:410.448766
  • Monoisotopic Mass:410.448766
  • Complexity:263
  • Rotatable Bond Count:26
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:29
  • 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
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