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Home> Hot Product Listed C   > Cyclohexanecarboxamide,4-[4-[(aminocarbonyl)oxy]phenyl]-2,6-dioxo-
108-80-5 structure

Cyclohexanecarboxamide,4-[4-[(aminocarbonyl)oxy]phenyl]-2,6-dioxo-

Iupac Name:1,3,5-triazinane-2,4,6-trione
CAS No.:108-80-5
EINECS(EC#): 602-666-3
Molecular Weight:129.07400
Molecular Formula:C10H10N2S2 (isomer)
Names and Identifiers
Synonyms

[4-(4-carbamoyl-3,5-dioxocyclohexyl)phenyl] carbamate 4-(4-carbamoyl-3,5-dioxocyclohexyl)phenyl carbamate AC1L5VKM AC1Q616B AKOS030613972 Carbamicacid, ester with 4-(p-hydroxyphenyl)-2,6-dioxocyclohexanecarboxamide (7CI) CTK4A0840 Cyclohexanecarboxamide, 4-(p-hydroxyphenyl)-2,6-dioxo-, carbamate DTXSID30300146 NSC 135108 nsc135108 nsc-135108 OR172822

Inchi
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChkey
ZFSLODLOARCGLH-UHFFFAOYSA-N
Canonical Smiles
C1(=O)NC(=O)NC(=O)N1
Properties
Melting Point
360 °C
Vapour
0mmHg at 25°C
Refractive Index
1.748
Flash Point
213.2°C
HS Code
29336980
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S37/39
PackingGroup
Z01
Transport
UN 3389 6.1/PG 1
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 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
3V Sigma S.p.A 2010
Budenheim Iberica S.L.U. 2013
ELECTROQUÍMICA DE HERNANI, S.A. 2016
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:129.07400g/mol
  • Molecular Formula:C10H10N2S2
  • Compound Is Canonicalized:True
  • Exact Mass:129.017
  • Monoisotopic Mass:129.017
  • Complexity:136
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:87.3A^2
  • Heavy Atom Count:9
  • 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: AAADcQBDMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAABgAQAAAAAAAAAAABAALAAAAI AAAAEAAAAAAAAAAAAAAAAACAAAAAAAAAAAAIASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
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  • Fax:86-571-88938652
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  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-574-89212210
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