Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > (4-Formyl-imidazol-1-yl)-acetic acid hydrochloride
31645-39-3 structure

(4-Formyl-imidazol-1-yl)-acetic acid hydrochloride

Iupac Name:bis(2-chloroethylamino)phosphinic acid
CAS No.:31645-39-3
EINECS(EC#): 269-825-3
Molecular Weight:221.018
Molecular Formula:C22H20CL2N2O2S2 (isomer)
Names and Identifiers
Synonyms

2-(4-Formyl-1H-imidazol-1-yl)acetic acid

Inchi
InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
InChkey
BKCJZNIZRWYHBN-UHFFFAOYSA-N
Canonical Smiles
C(CCl)NP(=O)(NCCCl)O
Properties
Melting Point
106-107 ºC
Boiling Point
273℃
Refractive Index
1.497
Flash Point
101.2 °C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:221.018g/mol
  • Molecular Formula:C22H20CL2N2O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:219.994
  • Monoisotopic Mass:219.994
  • Complexity:134
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61.4A^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: AAADccBjMAIGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAIQiCAAAAPBAEQAAABAABAA QAAAAIAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-452-6197139
  • Fax:86-452-6197939
  • Tel:86-21-67261018
  • Fax:86-21-67651705
  • Tel:86 571 87176852
  • Fax:86 571 87357695
  • Tel:+86-717-6307507
  • Fax:+-85-717-6307582
  • Tel:+1-(919)-942-6000
  • Fax:
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-452-6197139
  • Fax:86-452-6197939
  • Tel:86-21-67261018
  • Fax:86-21-67651705
  • Tel:86 571 87176852
  • Fax:86 571 87357695
  • Tel:+86-717-6307507
  • Fax:+-85-717-6307582
  • Tel:+1-(919)-942-6000
  • Fax:
 
<