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Home> Encyclopedia > Hot Product Listed 7   > 7-Fluoro-4-quinazolone
16499-57-3 structure

7-Fluoro-4-quinazolone

Iupac Name:7-fluoro-1H-quinazolin-4-one
CAS No.:16499-57-3
Molecular Weight:164.136503
Molecular Formula:C8H5FN2O (isomer)
Names and Identifiers
Synonyms

1210824-60-4 16499-57-3 3,4-Dihydro-7-fluoro-4-oxoquinazoline 4(1H)-Quinazolinone, 7-fluoro- 4(1H)-Quinazolinone,7-fluoro- (9CI) 4(3H)-Quinazolinone, 7-fluoro- 499F573 4CH-004025 689F443 7-fluoro-1H-quinazolin-4-one 7-Fluoro-3,4-dihydroquinazolin-4one 7-Fluoro-3,4-dihydroquinazolin-4-one 7-Fluoro-3,4-dihydroquinazolin4-one 7-Fluoro-3H-quinazolin-4-one 7-fluoro-3-hydroquinazolin-4-one 7-fluoro-4(3H)-quinazolinone(SALTDATA: FREE) 7-fluoro-4-hydroxyquinazoline 7-Fluoro-4-quinazolinol 7-fluoro-4-quinazolinone 7-Fluoro-4-quinazolone 7-Fluoroquinazolin-4(1H)-one 7-Fluoroquinazolin-4(1H)-one, 7-Fluoroquinazolin-4-ol, 3,4-Dihydro-7-fluoro-4-oxoquinazoline 7-Fluoroquinazolin-4(3H)one 7-Fluoroquinazolin-4-(3H)-one 7-Fluoroquinazolin-4(3H)-one 7-Fluoroquinazolin-4(3H)-one, AldrichCPR 7-Fluoro-quinazolin-4-ol 7-Fluoroquinazolin-4-ol 7-Fluoroquinazolin-4-one 7-fluoroquinazoline-4(3H)-one 7-fluoroquinazoline-4-one 7-FLURO-3H-QUINAZOLIN-4-ONE AB0028251 AB0068581 AB0085558 AB1010225 AB1098 AC1Q4MZY AC-8530 ACT09080 AJ-39559 AK-24066 AKOS005063822 AKOS005137260 AKOS015917999 AM20030108 AN-082 ANW-50602 BCP27362 BR-24066 BUTTPARK 76\07-32 CHEMBL1949849 CJ-09338 CS-M0990 CTK0I2093 DB-012339 DTXSID60426989 EN300-15355 F1029 F2167-7140 FS-2639 FT-0682244 HMS1734C04 HP23029 I14-8689 KCORZHJVTZIZFD-UHFFFAOYSA-N KS-0000026O MCULE-1550499847 MFCD05664874 (95%) MFCD07689443 MFCD07689443 (95%) PB18807 PubChem14305 QC-4225 RP02348 S-3375 SBB056366 SC-23309 SCHEMBL24819 SY034747 SY038673 VZ30925 W-205942 X0307 Y6013 Z139720736 ZINC2548718

Inchi
InChI=1/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChkey
KCORZHJVTZIZFD-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=C1F)NC=NC2=O
Isomers Smiles
C1=CC2=C(C=C1F)N=CNC2=O
Properties
Density
1.44
Melting Point
246.0 to 250.0 °C
Boiling Point
293.3 oC at 760 mmHg
Vapour
0.00174mmHg at 25°C
Refractive Index
1.642
Flash Point
131.2 oC
HS Code
2933990090
Safety and Handling
Hazard Codes
Xi
HazardClass
IRRITANT
Safety

Safety Information of 7-Fluoro-4-quinazolone (CAS NO.16499-57-3):
Hazard Codes: XiIrritant
Hazard Note: Irritant

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

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

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.

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.

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

Precursor and Product
Computational chemical data
  • Molecular Weight:164.136503g/mol
  • Molecular Formula:C8H5FN2O
  • XLogP3-AA:0.9
  • Exact Mass:164.038591
  • Monoisotopic Mass:164.038591
  • Complexity:229
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.5
  • Heavy Atom Count:12
  • 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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