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Home> Hot Product Listed U   > UKLGUUBFTAJPJP-UHFFFAOYSA-N
101-58-6 structure

UKLGUUBFTAJPJP-UHFFFAOYSA-N

Iupac Name:1-(2,4,4-trimethylpentan-2-yl)-4-[4-(2,4,
4-trimethylpentan-2-yl)phenoxy]benzene
CAS No.:101-58-6
Molecular Weight:394.63248
Molecular Formula:C12H18N4O2 (isomer)
Names and Identifiers
Synonyms

1-(5-chloro-1,3-thiazol-2-yl)ethan-1-one 1-(5-chloro-thiazol-2-yl)-ethanone 5-Chlorothiazole-2-ethanone 774230-95-4 AKOS015567073 CS-0055318 ethanone, 1-(5-chloro-2-thiazolyl)- MFCD09842149 MOLPORT-005-932-312 PB35653 SB10729 SCHEMBL5034219 ZINC22007391

Inchi
InChI=1/C28H42O/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3
InChkey
AJDONJVWDSZZQF-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C
Properties
Vapour
3.77E-08mmHg at 25°C
Refractive Index
1.506
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 101-58-6 EC: UKLGUUBFTAJPJP-UHFFFAOYSA-N ·ECHA C&L Inventory for CAS: CAS: 101-58-6 EC: UKLGUUBFTAJPJP-UHFFFAOYSA-N
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:394.63248g/mol
  • Molecular Formula:C12H18N4O2
  • Exact Mass:394.323566
  • Monoisotopic Mass:394.323566
  • Complexity:439
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2
  • 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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