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Home> Hot Product Listed 1   > 1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
98-00-0 structure

1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE

Iupac Name:furan-2-ylmethanol
CAS No.:98-00-0
Molecular Weight:98.09990
Molecular Formula:C21H19NOS (isomer)
Names and Identifiers
Synonyms

1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde

Inchi
InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChkey
XPFVYQJUAUNWIW-UHFFFAOYSA-N
Canonical Smiles
C1=COC(=C1)CO
Properties
Melting Point
-29 °C
Boiling Point
242.9°C at 760 mmHg
Refractive Index
n20/D 1.486(lit.)
Flash Point
150.2°C
HS Code
2932130000
Safety and Handling
Risk Statements
R21/22; R23; R36/37; R40; R48/20
Safety Statements
S23-S36/37/39
HazardClass
6.1
PackingGroup
III
Transport
UN 2874 6.1/PG 3
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 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
ASK Chemicals GmbH 2016
Chemours Netherlands B.V. 2017
Euro PET Ltd 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H319 Causes serious eye irritation

H331 Toxic if inhaled

H335 May cause respiratory irritation

H351 Suspected of causing cancer

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.

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.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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/...

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

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.

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

P311 Call a POISON CENTER/doctor/\u2026

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

P314 Get medical advice/attention if 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:98.09990g/mol
  • Molecular Formula:C21H19NOS
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.3
  • Exact Mass:98.037
  • Monoisotopic Mass:98.037
  • Complexity:54
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:33.4A^2
  • Heavy Atom Count:7
  • 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: AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAACAAACASgkAIwBIAABkCI AKhSgAICCAAkIAAIiAFGCMgNNjKENRqCWSCkwBELuYaIJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:0086-27-59524646
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  • Fax:86-571-86821328
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-27-59009407
  • Fax:86-27-59707018
  • Tel:86-311-66600578
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