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Home> Hot Product Listed C   > Cyclopentanecarboxylic acid, 2-(hydroxyimino)-, methyl ester (9CI)
6299-39-4 structure

Cyclopentanecarboxylic acid, 2-(hydroxyimino)-, methyl ester (9CI)

CAS No.:6299-39-4
Molecular Weight:164.124
Molecular Formula:C6H10BR2 (isomer)
Names and Identifiers
Synonyms

2-(hydroxyimino)cyclopentanecarboxylic acid methyl ester AK440079 AKOS027400062 methyl 2-(hydroxyimino)cyclopentanecarboxylate

Inchi
InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
InChkey
UTMDJGPRCLQPBT-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=NNN=C2C(=C1)[N+](=O)[O-]
Properties
Refractive Index
1.761
Safety and Handling
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Germ cell mutagenicity, Category 1A

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H340 May cause genetic defects

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

P273 Avoid release to the environment.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:164.124g/mol
  • Molecular Formula:C6H10BR2
  • Compound Is Canonicalized:False
  • Exact Mass:164.033
  • Monoisotopic Mass:164.033
  • Complexity:193
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:87.4A^2
  • Heavy Atom Count:12
  • 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: AAADcYBjsAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAcAAAACAiBFgAwwLASQACj ASRiQwCCBAQgEgA4uCAwdJoIYKKA0dGAJABggIAIyAcQAAAAAAAAAAQAACAAAAAACAAAQAAAAAAA AA==
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