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Home> Hot Product Listed 1   > 1-(2-METHOXY-5-NITROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE
86-73-7 structure

1-(2-METHOXY-5-NITROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE

Iupac Name:9H-fluorene
CAS No.:86-73-7
Molecular Weight:166.223
Molecular Formula:C13H13NO (isomer)
Names and Identifiers
Synonyms

1-(2-METHOXY-5-NITROPHENYL)-1H-PYRROLE-2-CARBOXALDEHYDE 1-(2-methoxy-5-nitrophenyl)pyrrole-2-carbaldehyde 1H-PYRROLE-2-CARBOXALDEHYDE, 1-(2-METHOXY-5-NITROPHENYL)- AC1MTRV7 acm383136081 AK477961 AKOS000101513 AKOS005607764 BBL022062 H8275 KB-311374 MCULE-1335139666 mfcd02664861 pya-0024 STK894780 ZINC3676290 zx-bk001820

Inchi
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
InChkey
NIHNNTQXNPWCJQ-UHFFFAOYSA-N
Canonical Smiles
C1C2=CC=CC=C2C3=CC=CC=C31
Properties
Melting Point
112-116℃
Boiling Point
414.2°C at 760 mmHg
Refractive Index
1.645
Flash Point
171°C
HS Code
29029080
Safety and Handling
Risk Statements
R50/53
Safety Statements
S24/25
HazardClass
9
PackingGroup
III
Transport
UN 3077
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 >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
YANG BUSINESS CONSULTANCY LIMITED 2010
F.I.S. Fabbrica Italiana Sintetici S.p.a. 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

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:166.223g/mol
  • Molecular Formula:C13H13NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.2
  • Exact Mass:166.078
  • Monoisotopic Mass:166.078
  • Complexity:165
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:13
  • 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: AAADccBwAAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAGAAAAAAADACAGAAwAIAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAAAAAAQAAAAAAAAACAAAQAACAAA AA==
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