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Home> Encyclopedia > Hot Product Listed 5   > 5-Benzofurancarboxaldehyde,4-hydroxy-
27519-02-4 structure

5-Benzofurancarboxaldehyde,4-hydroxy-

Iupac Name:(Z)-tricos-9-ene
CAS No.:27519-02-4
Molecular Weight:322.621
Molecular Formula:C20H19NO4 (isomer)
Names and Identifiers
Synonyms

4-hydroxy-1-benzofuran-5-carbaldehyde 4-hydroxy-5-benzofurancarboxaldehyde 4-hydroxybenzofuran-5-carbaldehyde 4-hydroxybenzofuran-5-carboxaldehyde 5-benzo[b]furancarbaldehyde,4-hydroxy- 5-benzofurancarboxaldehyde, 4-hydroxy- AC1L85T2 AKOS022636329 DTXSID00313884 HE278469 KB-196770 NSC 278074 nsc278074 ZINC1562935

Inchi
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-
InChkey
IGOWHGRNPLFNDJ-ZPHPHTNESA-N
Canonical Smiles
CCCCCCCCCCCCCC=CCCCCCCCC
Isomers Smiles
CCCCCCCCCCCCC/C=C\CCCCCCCC
Properties
Density
1.277
Boiling Point
362.8°Cat760mmHg
Vapour
3.16E-06mmHg at 25°C
Refractive Index
1.452-1.454
Flash Point
280.7°C
HS Code
2901299010
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
HazardClass
4.1
PackingGroup
II; III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

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.

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.

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:322.621g/mol
  • Molecular Formula:C20H19NO4
  • Compound Is Canonicalized:True
  • Exact Mass:322.36
  • Monoisotopic Mass:322.36
  • Complexity:216
  • Rotatable Bond Count:19
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACA ACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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