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Home> Hot Product Listed 1   > 1-(3-fluoro-4-hydroxyphenyl)-2-phenylethanone
1122-91-4 structure

1-(3-fluoro-4-hydroxyphenyl)-2-phenylethanone

Iupac Name:4-bromobenzaldehyde
CAS No.:1122-91-4
Molecular Weight:185.018
Molecular Formula:C13H9CLFN (isomer)
Names and Identifiers
Synonyms

AC1L5CGD AC1Q4O9U AKOS030618048 AR-1B1469 CTK4H2995 KST-1B3889 nsc10826 nsc-10826 OR186504 ZINC1712487

Inchi
InChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChkey
ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C=O)Br
Properties
Melting Point
55-58℃
Vapour
0.0249mmHg at 25°C
Refractive Index
1.547
Flash Point
°C
HS Code
29130000
Safety and Handling
Risk Statements
R22
Safety Statements
26-36/37-36/37/39-22
HazardClass
6.1(b)
PackingGroup
III
Transport
25kgs
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 JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
RECORDATI SPA 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

P284 [In case of inadequate ventilation] wear respiratory protection.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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.

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

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

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

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:185.018g/mol
  • Molecular Formula:C13H9CLFN
  • XLogP3-AA:2.2
  • Exact Mass:183.952377
  • Monoisotopic Mass:183.952377
  • Complexity:95.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:9
  • 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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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-20-18102838259
  • Fax:86-0755-23229476
 
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