Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed Z   > ZINC16975773
2999-46-4 structure

ZINC16975773

Iupac Name:ethyl 2-isocyanoacetate
CAS No.:2999-46-4
Molecular Weight:113.116
Molecular Formula:C25H30N4O3S2 (isomer)
Names and Identifiers
Synonyms

2-(4-fluorophenyl)-n-(2-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl)acetamide AKOS002060695 CCG-192179 F2073-0072 MCULE-6601539536 MOLPORT-003-099-589

Inchi
InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3
InChkey
FPULFENIJDPZBX-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C[N+]#[C-]
Properties
Melting Point
194-196ºC
Refractive Index
1.417-1.425
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S36/37
HazardClass
6.1
PackingGroup
III
Transport
UN 2810 6
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:113.116g/mol
  • Molecular Formula:C25H30N4O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:113.048
  • Monoisotopic Mass:113.048
  • Complexity:122
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:30.7A^2
  • Heavy Atom Count:8
  • 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: AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAAAADhgAYCCAIABAAY AACQCAAAAAAAAAAAAACAAAACAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
 
<