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Home> Encyclopedia > Hot Product Listed 7   > 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-
82419-35-0 structure

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-

CAS No.:82419-35-0
EINECS(EC#): 700-160-8
Molecular Weight:281.215
Molecular Formula:C13H9F2NO4 (isomer)
Names and Identifiers
Synonyms

(-)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 1,8-(1-methylethane-1,2-diyloxy)-4-oxo-6,7-difluoro-1,4-dihydroquinoline-3-carboxylic acid 2h-1,4-oxazino[2,3,4-i,j]quinoline-6-carboxylic acid, 3,7-dihydro-9,10-difluoro-3-methyl-7-oxo- 6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0?,(1)(3)]trideca-5(13),6,8,11-tetraene-11-carboxylic acid 6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-(3s)-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido [1,2,3-de][1,4]-benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7--oxo-7h-pyrido[1,2,3-de][1,4]-benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de][1,4]-benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3methyl-7-oxo-7h-pyrido[1,2,3-de][1,4]-benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benz-oxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]1,4-benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 97% 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxyllic acid 9,10-difluoro-3-(s)-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro 7-h-pyrido-1,2,3-de]-1,4-benzoxyazine-6-carboxylic acid 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid # 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido [1,2,3-de]-1,4-benzoxazin- 6-carboxylic acid 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid 9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid AC1LBEKM AC1Q2RH0 AC1Q4OGO akos bbs-00001807 AKOS000267372 AKOS016039095 AN-36185 AS-13344 aurora 21894 AX8007842 c-17698 cc-23462 cc-29924 CCG-17228 CHEMBL216686 DB-056607 EBD19836 en300-199091 HMS1417E20 I01-0150 IFLAB1_001868 mfcd00226106 MOLPORT-000-422-242 NVKWWNNJFKZNJO-UHFFFAOYSA-N O0404 OPREA1_876759 otava-bb bb0111050010 oxyfluoro carboxylic acid oxygen-fluorine acid RT-015498 SC-45860 SCHEMBL2089512 SR-01000634617-1 STOCK1S-13313 TC-148202

Inchi
InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)
InChkey
NVKWWNNJFKZNJO-UHFFFAOYSA-N
Canonical Smiles
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
Isomers Smiles
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)[O-]
Properties
Appearance
grey-yellow powder
Density
1.61
Melting Point
320-322 °C(lit.)
Boiling Point
459.2°C at 760 mmHg
Flash Point
231.5°C
HS Code
2934999090
Storage temp
-20?C Freezer
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S36
Safety

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: (±)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid (CAS NO.82419-35-0) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3

Specification

Grey-Yellow Powder
usageEng:Ofloxacin intermediate
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

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)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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:281.215g/mol
  • Molecular Formula:C13H9F2NO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.1
  • Exact Mass:281.05
  • Monoisotopic Mass:281.05
  • Complexity:495
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:66.8A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByOYAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACxAAAAHwAACAAADCzhmA4yzoMABgCI AqTWSACCCAAlIAAAiAENTMgOJj7MtJuHeajk4BHY+cea2bOeAAABAAACEAAAAAIAAAQgAAAAAAAA AA==
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