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Home> Hot Product Listed T   > T6567405
83857-96-9 structure

T6567405

Iupac Name:2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
CAS No.:83857-96-9
Molecular Weight:186.639
Molecular Formula:C18H17N3O4S (isomer)
Names and Identifiers
Synonyms

2-[4-(pyrazin-2-yl)piperazin-1-yl]quinoline-4-carboxamide MCULE-8954429341 MOLPORT-009-041-114 Z373214396 ZINC44915612

Inchi
InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChkey
JLVIHQCWASNXCK-UHFFFAOYSA-N
Canonical Smiles
CCCCC1=NC(=C(N1)Cl)C=O
Properties
Melting Point
97-100℃
Safety and Handling
Risk Statements
R43;R51/53
Safety Statements
S24;S37;S61
Transport
UN 3077
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 83857-96-9 EC: T6567405 ·ECHA C&L Inventory for CAS: CAS: 83857-96-9 EC: T6567405
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P273 Avoid release to the environment.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:186.639g/mol
  • Molecular Formula:C18H17N3O4S
  • Compound Is Canonicalized:True
  • Exact Mass:186.056
  • Monoisotopic Mass:186.056
  • Complexity:154
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:45.8A^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: AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgIQAAAACAqhlyIDkBbJkACo AQ5w5AAAgC2HFKABEQGwUkCASApAiCBUAIAIEALABGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Tel:+86-0592-5567629
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