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Home> Hot Product Listed T   > T6674612
6865-35-6 structure

T6674612

Iupac Name:barium(2+);octadecanoate
CAS No.:6865-35-6
Molecular Weight:704.279
Molecular Formula:C13H12N4O2S2 (isomer)
Names and Identifiers
Synonyms

2-[(4-hydroxyquinolin-3-yl)formamido]-n-methyl-n-[(phenylcarbamoyl)methyl]acetamide MCULE-3268137320 MOLPORT-009-079-648 Z647739940 ZINC48367093

Inchi
InChI=1S/2C18H36O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
InChkey
AGXUVMPSUKZYDT-UHFFFAOYSA-L
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2]
Properties
Melting Point
>225 °C
Safety and Handling
Risk Statements
R20/22
Safety Statements
28
HazardClass
6.1
PackingGroup
II; III
Transport
UN# 1564
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 6865-35-6 EC: T6674612 ·ECHA C&L Inventory for CAS: CAS: 6865-35-6 EC: T6674612
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:704.279g/mol
  • Molecular Formula:C13H12N4O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:704.433
  • Monoisotopic Mass:704.433
  • Complexity:196
  • Rotatable Bond Count:30
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3A^2
  • Heavy Atom Count:41
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcfB8OAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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