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Home> Hot Product Listed 1   > 1-[4-(propan-2-yloxy)phenyl]pentan-1-one
555-16-8 structure

1-[4-(propan-2-yloxy)phenyl]pentan-1-one

Iupac Name:4-nitrobenzaldehyde
CAS No.:555-16-8
Molecular Weight:151.121
Molecular Formula:C15H20N2O4 (isomer)
Names and Identifiers
Synonyms

1-(4-propan-2-yloxyphenyl)pentan-1-one AC1M2GUB AK501728 AKOS003278567 ALBB-002999 BBL016746 HMS1591C15 mfcd02375373 MOLPORT-001-633-753 R5880 SCHEMBL7925884 ST50944779 STK432729 ZINC2776514 zx-an002980

Inchi
InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
InChkey
BXRFQSNOROATLV-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C=O)[N+](=O)[O-]
Properties
Melting Point
103-107℃
Refractive Index
1.617
HS Code
29130000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
PackingGroup
Z01
Transport
25kgs
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P264 Wash ... thoroughly after handling.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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:151.121g/mol
  • Molecular Formula:C15H20N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.6
  • Exact Mass:151.027
  • Monoisotopic Mass:151.027
  • Complexity:156
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:62.9A^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: AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAEAAAADAihmAIwwIAQQACJ AixSwwCCAAAkAgAoiAEAZMoIIDKAlZGAIQBggAAIyYcYiQCeCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
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