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Home> Hot Product Listed R   > Rose, Rosa damascenaalba, ext.
780-20-1 structure

Rose, Rosa damascenaalba, ext.

Iupac Name:N-(4-bromophenyl)-1-phenylmethanimine
CAS No.:780-20-1
Molecular Weight:260.134
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Einecs 308-772-3 Rose, Rosa damascena alba, ext.

Inchi
InChI=1S/C13H10BrN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H
InChkey
DJGDQBWKJYPZEF-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)Br
Properties
Refractive Index
1.587
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 780-20-1 EC: Rose, Rosa damascenaalba, ext. ·ECHA C&L Inventory for CAS: CAS: 780-20-1 EC: Rose, Rosa damascenaalba, ext.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

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)

H302 Harmful if swallowed

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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:260.134g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.5
  • Exact Mass:259
  • Monoisotopic Mass:259
  • Complexity:201
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Heavy Atom Count:15
  • 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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