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Home> Hot Product Listed F   > F5679-0104
107-84-6 structure

F5679-0104

Iupac Name:1-chloro-3-methylbutane
CAS No.:107-84-6
Molecular Weight:106.593
Molecular Formula:C11H13CLN2O (isomer)
Names and Identifiers
Synonyms

2-(2-(1h-pyrrol-1-yl)thiazol-4-yl)-n-cyclohexylacetamide AKOS024517022 MCULE-2685888433 MOLPORT-009-740-808 sr-01000924400 SR-01000924400-1 VU0518935-1 ZINC35598489

Inchi
InChI=1S/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChkey
CZHLPWNZCJEPJB-UHFFFAOYSA-N
Canonical Smiles
CC(C)CCCl
Properties
Melting Point
-104ºC
Vapour
46.2mmHg at 25°C
Refractive Index
1.4090
Safety and Handling
Risk Statements
R11
Safety Statements
S16;S23;S24/25
HazardClass
3
PackingGroup
II
Transport
1107
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:106.593g/mol
  • Molecular Formula:C11H13CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:106.055
  • Monoisotopic Mass:106.055
  • Complexity:25.1
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:6
  • 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: AAADccBgAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIAAAAADQOAAEACAAAAAAAA AAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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