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Home> Hot Product Listed S   > Sulfurous acid, calciumsalt, hydrate (2:2:1) (9CI)
150-25-4 structure

Sulfurous acid, calciumsalt, hydrate (2:2:1) (9CI)

Iupac Name:2-[bis(2-hydroxyethyl)amino]acetic acid
CAS No.:150-25-4
Molecular Weight:163.173
Molecular Formula:CEH2O9S2 (isomer)
Names and Identifiers
Synonyms

Calcium sulfite (CaSO3), hemihydrate Calcium sulfite hemihydrate Calcium sulfite hydrate (2CaSO3.H2O) Sulfurous acid,calcium salt (1:1), hemihydrate (8CI)

Inchi
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChkey
FSVCELGFZIQNCK-UHFFFAOYSA-N
Canonical Smiles
C(CO)N(CCO)CC(=O)O
Properties
Melting Point
190-192℃
HS Code
29225000
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S24/25
Transport
1kgs,
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:163.173g/mol
  • Molecular Formula:CEH2O9S2
  • Compound Is Canonicalized:True
  • Exact Mass:163.084
  • Monoisotopic Mass:163.084
  • Complexity:111
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:81A^2
  • Heavy Atom Count:11
  • 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: AAADccBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADhgAYACAMAAgAI AACQCAAAAAAAAAAAAACIAAACEAAAACAAAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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