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Home> Hot Product Listed S   > SCHEMBL5411553
27885-92-3 structure

SCHEMBL5411553

Iupac Name:1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CAS No.:27885-92-3
Molecular Weight:348.4017
Molecular Formula:C10H12O (isomer)
Names and Identifiers
Synonyms

2,4-dichloro-3-fluorophenol AK354222 AKOS027349991

Inchi
InChI=1/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
Canonical Smiles
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
Properties
Vapour
2.94E-19mmHg at 25°C
Safety and Handling
Transport
OTH
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 INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Robinson Brothers Ltd 2016
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:348.4017g/mol
  • Molecular Formula:C10H12O
  • Exact Mass:348.169859
  • Monoisotopic Mass:348.169859
  • Complexity:526
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:89.9
  • Heavy Atom Count:26
  • 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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