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Home> Hot Product Listed M   > MOLPORT-006-754-799
261951-69-3 structure

MOLPORT-006-754-799

Iupac Name:(5-fluoro-2-methylphenyl)methanamine
CAS No.:261951-69-3
Molecular Weight:139.173
Molecular Formula:C15H16N2O3 (isomer)
Names and Identifiers
Synonyms

AC1MYQMA AKOS022169885 KS-000029LS mfcd02827822 MS-8575 n-(4-fluorophenyl)(4-formylpiperazinyl)formamide n-(4-fluorophenyl)-4-formylpiperazine-1-carboxamide ST50953092 ZINC35623048

Inchi
InChI=1S/C8H10FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3
InChkey
KDOUBUZYGVSSLM-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=C(C=C1)F)CN
Properties
Vapour
0.308mmHg at 25°C
Refractive Index
1.080
Safety and Handling
Risk Statements
R34
Safety Statements
26-36/37/39
HazardClass
8
PackingGroup
III
Transport
2735
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 261951-69-3 EC: MOLPORT-006-754-799 ·ECHA C&L Inventory for CAS: CAS: 261951-69-3 EC: MOLPORT-006-754-799
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)

H314 Causes severe skin burns and eye damage

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:139.173g/mol
  • Molecular Formula:C15H16N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:139.08
  • Monoisotopic Mass:139.08
  • Complexity:105
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:10
  • 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: AAADccByAQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAQAAAADADBGAwyAIBAAACA AiBCAACCAAAgAAAIiIAABIgIICKAkRGAIABggAAIiAcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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