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Home> Hot Product Listed P   > PYRUVIC ACID, SODIUM SALT, [1-14C]-
333-41-5 structure

PYRUVIC ACID, SODIUM SALT, [1-14C]-

Iupac Name:diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-$l^{5}-phosphane
CAS No.:333-41-5
Molecular Weight:304.345
Molecular Formula:C17H20FNO2 (isomer)
Names and Identifiers
Synonyms

[1-14C]PYRUVIC ACID, SODIUM SALT

Inchi
InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
InChkey
FHIVAFMUCKRCQO-UHFFFAOYSA-N
Canonical Smiles
CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
Properties
Density
1.268
Melting Point
>120℃ (dec.)
Boiling Point
384.5°C at 760 mmHg
Refractive Index
1.595
Flash Point
96.9°C
Safety and Handling
Risk Statements
R22;R50/53
Safety Statements
S24/25;S60;S61
HazardClass
6.1(b)
Hazard Note
H225; H302; H312; H319; H332; H411
PackingGroup
III
Transport
UN 2783/2810
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

P391 Collect spillage.

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:304.345g/mol
  • Molecular Formula:C17H20FNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.8
  • Exact Mass:304.101
  • Monoisotopic Mass:304.101
  • Complexity:307
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:85.6A^2
  • Heavy Atom Count:19
  • 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: AAADceBzMAJAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAACAADQihlwIzlJYIERCg ASZiZACAgCkhIqABGCA2bBiALgBAycIEFAhOABrAQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Tel:86-27-88660577
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