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Home> Hot Product Listed B   > BAS 01541868
87-40-1 structure

BAS 01541868

Iupac Name:1,3,5-trichloro-2-methoxybenzene
CAS No.:87-40-1
Molecular Weight:211.466
Molecular Formula:C24H24N4 (isomer)
Names and Identifiers
Synonyms

2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)-n-phenylacetamide 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-n-phenylacetamide 2-[4,6-bis-(4-chloro-phenyl)-3-cyano-pyridin-2-ylsulfanyl]-n-phenyl-acetamide 2-{[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}-n-phenylacetamide AK511118 AKOS000574302 BG01176827 MCULE-1558556525 ZINC6446597

Inchi
InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChkey
WCVOGSZTONGSQY-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1Cl)Cl)Cl
Properties
Melting Point
60-62 °C(lit.)
Refractive Index
1.55
Safety and Handling
Risk Statements
22-36-39/23/24/25-23/24/25-11
Safety Statements
Hazard Codes Xn,T,FRisk Statements 22-36-39/23/24/25-23/24/25-11Safety Statements 26-45-36/37-16-7RIDADR UN 1230 3/PG 2WGK Germany 3
Transport
UN 1230 3/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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:211.466g/mol
  • Molecular Formula:C24H24N4
  • Compound Is Canonicalized:True
  • XLogP3-AA:4
  • Exact Mass:209.941
  • Monoisotopic Mass:209.941
  • Complexity:119
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2A^2
  • Heavy Atom Count:11
  • 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: AAADcYBgIAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAACAaAkCIyBoAABACA ACBCAAACCAAgJUAAiAAEC4gMJiOFMxqAMCAkwBEIqAeAQAAAACAAAACACAAAQAAAAQAQAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:+86 519 8630 5871
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86-21-50272981-6515
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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