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Home> Encyclopedia > Hot Product Listed 5   > 5,7,11-Cyclotetradecatriene-1,4-diol,8,12-dimethyl-2-methylene-5-(1-methylethyl)-, (1R,4S,5Z,7E,11E)...
4595-59-9 structure

5,7,11-Cyclotetradecatriene-1,4-diol,8,12-dimethyl-2-methylene-5-(1-methylethyl)-, (1R,4S,5Z,7E,11E)-

Iupac Name:5-bromopyrimidine
CAS No.:4595-59-9
Molecular Weight:158.986
Molecular Formula:C6H8O (isomer)
Names and Identifiers
Synonyms

(-)-Sarcophytol I 5,7,11-Cyclotetradecatriene-1,4-diol,8,12-dimethyl-2-methylene-5-(1-methylethyl)-, [1R-(1R*,4S*,5Z,7E,11E)]- Sarcophytol I

Inchi
InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
InChkey
GYCPLYCTMDTEPU-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=NC=N1)Br
Properties
Density
1.315
Melting Point
69-73℃
Boiling Point
777.3°Cat760mmHg
Refractive Index
1.568
Flash Point
18.8°C
HS Code
2933599090
Safety and Handling
Risk Statements
R36/38
Safety Statements
S26;S37/39
Hazard Note
H315; H319; H335
Transport
25kgs
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:158.986g/mol
  • Molecular Formula:C6H8O
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.7
  • Exact Mass:157.948
  • Monoisotopic Mass:157.948
  • Complexity:51.7
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:25.8A^2
  • Heavy Atom Count:7
  • 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: AAADcQBjAAAAEAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHABAAAABqADBEgQtkJYIEACg ABBnZACAgCkRAKABUCAoRBCACIBASUAEBAgIAAJAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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