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Home> Hot Product Listed B   > BIONET2_000078
91-16-7 structure

BIONET2_000078

Iupac Name:1,2-dimethoxybenzene
CAS No.:91-16-7
Molecular Weight:138.1638
Molecular Formula:C25H17CLFN3O2S2 (isomer)
Names and Identifiers
Synonyms

2-[(4-chlorobenzyl)sulfanyl]-n-methyl-n-phenylacetamide 2-[(4-chlorophenyl)methylsulfanyl]-n-methyl-n-phenylacetamide 2-{[(4-chlorophenyl)methyl]sulfanyl}-n-methyl-n-phenylacetamide 9H-363S AC1LSHSU AKOS004102809 HMS1364D12 KS-00003FSE MCULE-1988694653 MOLPORT-002-882-385 ZINC1402853

Inchi
InChI=1/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
InChkey
ABDKAPXRBAPSQN-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=CC=C1OC
Properties
Melting Point
15℃
Refractive Index
1.533-1.535
HS Code
29093090
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S23
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
RHODIA OPERATIONS 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:138.1638g/mol
  • Molecular Formula:C25H17CLFN3O2S2
  • XLogP3-AA:1.6
  • Exact Mass:138.06808
  • Monoisotopic Mass:138.06808
  • Complexity:81.3
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5
  • Heavy Atom Count:10
  • 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
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
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  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-158-02717655
  • Fax:86-158-02717655
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
 
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