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Home> Hot Product Listed Z   > ZINC71831040
1978-61-6 structure

ZINC71831040

Iupac Name:4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CAS No.:1978-61-6
Molecular Weight:213.679023
Molecular Formula:C25H29N3O5 (isomer)
Names and Identifiers
Synonyms

2-({[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl}(propan-2-yl)amino)acetamide MCULE-1277241843 MOLPORT-020-127-234 Z855816500

Inchi
InChI=1/C11H12FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2/p+1
Canonical Smiles
C1CNCC=C1C2=CC=C(C=C2)F.Cl
Properties
Melting Point
169-173 °C
Vapour
0.00997mmHg at 25°C
HS Code
29333999
Safety and Handling
Risk Statements
R23/24/25;R40
Safety Statements
S28;S36/37/39;S38;S45
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1978-61-6 EC: ZINC71831040 ·ECHA C&L Inventory for CAS: CAS: 1978-61-6 EC: ZINC71831040
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:213.679023g/mol
  • Molecular Formula:C25H29N3O5
  • Exact Mass:213.072055
  • Monoisotopic Mass:213.072055
  • Complexity:192
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:12
  • Heavy Atom Count:14
  • 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:2
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