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Home> Hot Product Listed F   > F2879-6781
50370-56-4 structure

F2879-6781

Iupac Name:methyl (1S,3S,4S,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS No.:50370-56-4
Molecular Weight:277.339
Molecular Formula:C20H20N2O4 (isomer)
Names and Identifiers
Synonyms

AKOS023411116 BG00304611 MCULE-8169535021 MOLPORT-003-649-290 n1-cyclopropyl-n2-(2-hydroxypropyl)oxalamide n'-cyclopropyl-n-(2-hydroxypropyl)ethanediamide

Inchi
InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChkey
QUSLQENMLDRCTO-YJNKXOJESA-N
Canonical Smiles
CN1C2CCC1C(C(C2)C3=CC=C(C=C3)F)C(=O)OC
Isomers Smiles
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC
Properties
Melting Point
91-92℃
Refractive Index
1.528
Safety and Handling
Risk Statements
26/27/28-43-62
Safety Statements
22-26-36/37/39-45
Transport
UN 1544 6
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 50370-56-4 EC: F2879-6781 ·ECHA C&L Inventory for CAS: CAS: 50370-56-4 EC: F2879-6781
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 2

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 2

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H310 Fatal in contact with skin

H317 May cause an allergic skin reaction

H330 Fatal if inhaled

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P262 Do not get in eyes, on skin, or on clothing.

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

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

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

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

P201 Obtain special instructions before use.

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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

P320 Specific treatment is urgent (see ... on this label).

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

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:277.339g/mol
  • Molecular Formula:C20H20N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:277.148
  • Monoisotopic Mass:277.148
  • Complexity:368
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:4
  • 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: AAADceB6MQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAABgAAAAABAAAAHwAAAAAADSjBmA4yCIMABACI AiDSCAACAAAgAAAIiAEIAIgIIDqAkRCEIAAmgACIiAeY2eOegAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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