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Home> Hot Product Listed T   > T6522953
98-79-3 structure

T6522953

CAS No.:98-79-3
Molecular Weight:129.11398
Molecular Formula:C8H7CLN4 (isomer)
Names and Identifiers
Synonyms

MCULE-3306882735 MOLPORT-007-392-311 n-[2-(1h-pyrazol-1-yl)pyridin-3-yl]cyclohex-3-ene-1-carboxamide Z359417302

Inchi
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChkey
ODHCTXKNWHHXJC-VKHMYHEASA-N
Canonical Smiles
C1CC(=O)NC1C(=O)O
Isomers Smiles
C1CC(=O)N[C@@H]1C(=O)O
Properties
Melting Point
152-162℃
Refractive Index
-10 ° (C=5, H2O)
Alpha
-27.5 o (C=10, 1 N NAOH)
HS Code
29337900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:129.11398g/mol
  • Molecular Formula:C8H7CLN4
  • Exact Mass:129.042593
  • Monoisotopic Mass:129.042593
  • Complexity:154
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66.4
  • Heavy Atom Count:9
  • 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
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  • Fax:86-27-111111
  • Tel:86-519-82869185
  • Fax:86-519-82869185
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • 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:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
 
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