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Home> Hot Product Listed P   > Poly[oxy-1,4-phenyleneoxycarbonyl[2,5-bis(hexadecyloxy)-1,4-phenylene]carbonyl](9CI)
145202-66-0 structure

Poly[oxy-1,4-phenyleneoxycarbonyl[2,5-bis(hexadecyloxy)-1,4-phenylene]carbonyl](9CI)

Iupac Name:benzoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CAS No.:145202-66-0
Molecular Weight:391.475
Molecular Formula:C12H27NO6 (isomer)
Names and Identifiers
Synonyms

2,5-Bis(hexadecyloxy)terephthaloylchloride-hydroquinone copolymer, sru 2,5-di-n-hexadecyloxyterephthalicacid-hydroquinone copolymer, SRU PE 16 PE 16 (polyester) Poly(p-phenylene 2,5-dihexadecyloxyterephthalate) PPTC 16C

Inchi
InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)
InChkey
JPRXYLQNJJVCMZ-UHFFFAOYSA-N
Canonical Smiles
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.C1=CC=C(C=C1)C(=O)O
Properties
Melting Point
178-180℃
Boiling Point
°Cat760mmHg
Vapour
2.58E-10mmHg at 25°C
Refractive Index
1.645
Flash Point
°C
Safety and Handling
Transport
HAZARD
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:391.475g/mol
  • Molecular Formula:C12H27NO6
  • Compound Is Canonicalized:True
  • Exact Mass:391.201
  • Monoisotopic Mass:391.201
  • Complexity:412
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:87A^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:2
  • CACTVS Substructure Key Fingerprint: AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/AAAHgAYCAAADAjBngQ/2PfJkgCq AzT3bACSgCs1gqAd2aE4bNiILvLAnZGEcQhs0API2YeYyOCOiAACAAACAAAQAAQAAAQAAAAAAAAA AA==
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