Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-(azidomethyl)-1-methoxy-2-nitrobenzene
64221-86-9 structure

4-(azidomethyl)-1-methoxy-2-nitrobenzene

Iupac Name:(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS No.:64221-86-9
Molecular Weight:299.35
Molecular Formula:C5H3NO5 (isomer)
Names and Identifiers
Synonyms

AKOS009454443

Inchi
InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
InChkey
ZSKVGTPCRGIANV-ZXFLCMHBSA-N
Canonical Smiles
CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O
Isomers Smiles
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O
Properties
Melting Point
106-111 C
Refractive Index
1.721
HS Code
29419000
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-27-36/37/39
Reach Info
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:299.35g/mol
  • Molecular Formula:C5H3NO5
  • Compound Is Canonicalized:True
  • Exact Mass:299.094
  • Monoisotopic Mass:299.094
  • Complexity:491
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:142A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:3
  • 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: AAADceBzOABAAAAAAAAAAAAAAABYAQAAAAAAAAAABAAAAAAAAAAAHgQQCAAADTzlwAaDCANAAgio AAXRfAAAAAEgABAACIGIAEgCFB4ggCAEUAAGpgC4EQOYAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-22-58951207
  • Fax:86-22-58951207
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-22-58951207
  • Fax:86-22-58951207
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
 
<