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Home> Hot Product Listed E   > (E)-1-(4'-fluorobiphenyl-2-yl)-N-hydroxymethanimine
80-05-7 structure

(E)-1-(4'-fluorobiphenyl-2-yl)-N-hydroxymethanimine

Iupac Name:4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CAS No.:80-05-7
Molecular Weight:228.291
Molecular Formula:C24H18N2O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChkey
IISBACLAFKSPIT-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Properties
Melting Point
152-158℃
HS Code
29072300
Safety and Handling
Risk Statements
R37;R41;R43;R62
Safety Statements
S26;S36/37/39;S46
Transport
UN 3077 9 / PGIII
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  
FULL JOINT 1000000_10000000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
3M Belgium BVBA/SPRL 2016
Allnex Belgium NV/SA OR 2016
BASF SE 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Skin sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H317 May cause an allergic skin reaction

H335 May cause respiratory irritation

H360F

Precautionary statement(s)
Prevention

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

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

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

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:228.291g/mol
  • Molecular Formula:C24H18N2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.3
  • Exact Mass:228.115
  • Monoisotopic Mass:228.115
  • Complexity:209
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:17
  • 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: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADgSAmAAyBoAAAgCA AiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwPAPoAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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