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Home> Hot Product Listed 1   > 1-Cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
443-48-1 structure

1-Cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Iupac Name:2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CAS No.:443-48-1
Molecular Weight:171.156
Molecular Formula:C12H12F2O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChkey
VAOCPAMSLUNLGC-UHFFFAOYSA-N
Canonical Smiles
CC1=NC=C(N1CCO)[N+](=O)[O-]
Properties
Density
1.352
Melting Point
159-163℃
Boiling Point
462.5 °C at 760 mmHg
Vapour
2.67E-07mmHg at 25°C
Refractive Index
1.612
Flash Point
252.714°C
HS Code
29332990
Safety and Handling
Risk Statements
R40;R46;R45
Safety Statements
S36/37;S45;S53
Hazard Note
H351
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
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MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 1B

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)

H341 Suspected of causing genetic defects

H350 May cause cancer

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

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

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

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

Response

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

P314 Get medical advice/attention if you feel unwell.

Storage

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:171.156g/mol
  • Molecular Formula:C12H12F2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0
  • Exact Mass:171.064
  • Monoisotopic Mass:171.064
  • Complexity:170
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.9A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAECAAAAADhgwYvsBccUgCh ABInZwAAgC0REqAhQAAYMAKCWAAACAAQAAAIAIKQACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
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  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
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