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Home> Hot Product Listed Z   > ZINC32627006
72-18-4 structure

ZINC32627006

CAS No.:72-18-4
Molecular Weight:117.14634
Molecular Formula:C19H31N3O4S (isomer)
Names and Identifiers
Synonyms

1-(2-fluoro-5-nitrophenyl)-1h-1,2,3,4-tetrazole 1-(2-fluoro-5-nitrophenyl)-1h-tetrazole AC1Q1XDA EN300-33399 NE28795

Inchi
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChkey
KZSNJWFQEVHDMF-SCSAIBSYSA-N
Canonical Smiles
CC(C)C(C(=O)O)N
Isomers Smiles
CC(C)[C@@H](C(=O)O)N
Properties
Melting Point
315℃
Refractive Index
1.507
Alpha
28 o (C=8, 6N HCL)
HS Code
29224995
Safety and Handling
Risk Statements
R40
Safety Statements
S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Evonik Fermas s.r.o. 2014
Evonik Rexim S.A.S. 2014
Kyowa Hakko Europe GmbH 2017
more >
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:117.14634g/mol
  • Molecular Formula:C19H31N3O4S
  • XLogP3-AA:_2.3
  • Exact Mass:117.078979
  • Monoisotopic Mass:117.078979
  • Complexity:90.4
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
 
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