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Home> Hot Product Listed M   > MOLPORT-007-866-183
3926-62-3 structure

MOLPORT-007-866-183

Iupac Name:sodium;2-chloroacetate
CAS No.:3926-62-3
Molecular Weight:116.476
Molecular Formula:C16H16O3S (isomer)
Names and Identifiers
Synonyms

2-((2-benzyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio)-n-(4-chlorobenzyl)acetamide 2-[(2-benzyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]-n-(4-chlorobenzyl)acetamide AKOS002010614 AKOS021719989 F3411-2823

Inchi
InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChkey
FDRCDNZGSXJAFP-UHFFFAOYSA-M
Canonical Smiles
C(C(=O)[O-])Cl.[Na+]
Properties
Melting Point
199 °C (dec.)(lit.)
Refractive Index
1.438
HS Code
29154000
Safety and Handling
Risk Statements
R25;R38;R50
Safety Statements
S22;S37;S45;S61
HazardClass
6.1
PackingGroup
III
Transport
UN 2659
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin irritation, Category 2

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H315 Causes skin irritation

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:116.476g/mol
  • Molecular Formula:C16H16O3S
  • Compound Is Canonicalized:True
  • Exact Mass:115.964
  • Monoisotopic Mass:115.964
  • Complexity:46.8
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.1A^2
  • Heavy Atom Count:6
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcQBAMCAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAAAAOAgEAACAAAAAAI AACQCAAAAAAAAAAAAAAAAQBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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