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Home> Hot Product Listed Z   > ZINC35597114
35354-74-6 structure

ZINC35597114

Iupac Name:2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CAS No.:35354-74-6
Molecular Weight:266.33432
Molecular Formula:C11H13N3OS (isomer)
Names and Identifiers
Synonyms

6-methyl-5-(2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)ethyl)pyrimidine-2,4(1h,3h)-dione AKOS024511888 F5522-0023 MCULE-1074467218 MOLPORT-009-735-879 VU0645933-1

Inchi
InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChkey
FVYXIJYOAGAUQK-UHFFFAOYSA-N
Canonical Smiles
C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
Properties
Melting Point
87.50oC
Refractive Index
1.601
Safety and Handling
Risk Statements
R41;R51/53
Safety Statements
S26;S39;S61
Hazard Note
H318
Transport
UN 3077
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 35354-74-6 EC: ZINC35597114 ·ECHA C&L Inventory for CAS: CAS: 35354-74-6 EC: ZINC35597114
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:266.33432g/mol
  • Molecular Formula:C11H13N3OS
  • Exact Mass:266.13068
  • Monoisotopic Mass:266.13068
  • Complexity:325
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:20
  • 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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