Naphtho[2,3-c]furan-4-carboxylic acid, 7-aminododecahydro-3-methyl-1-oxo-, (3R,3aR,4S,4aR,7R,8aR,9aR)-

Iupac Name：sodium;(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS No.：64485-93-4

Molecular Weight：477.442

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1. Names and Identifiers

1.1 Name: Naphtho[2,3-c]furan-4-carboxylic acid, 7-aminododecahydro-3-methyl-1-oxo-, (3R,3aR,4S,4aR,7R,8aR,9aR)-

2. Properties

3.1 Density: 1.350±0.06 g/cm3(Predicted)

3.1 Melting point: 162-163 °C(lit.)

3.1 Refractive index: 61 ° (C=1, H2O)

3.1 Precise Quality: 477.03900

3.1 PSA: 229.88000

3.1 logP: -1.04720

3. Safety and Handling

4.1 Symbol: GHS08

4.1 Signal Word: Danger

4.1 Risk Statements: R42/43

4.1 Safety Statements: S22;S36;S37

4.1 Hazard Declaration: H317-H334

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P280-P284-P304 + P340-P342 + P311

4.1 WGK Germany: 2

4.1 RTECS: XI0250000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H317 May cause an allergic skin reaction H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Precautionary statement(s)
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P284 [In case of inadequate ventilation] wear respiratory protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). 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. P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：477.442g/mol
Molecular Formula：C_₁₅H_₁₂ClF_₃N_₂O_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：477.03888450
Monoisotopic Mass：477.03888450
Complexity：839
Rotatable Bond Count：8
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：12
Topological Polar Surface Area：230
Heavy Atom Count：31
Defined Atom Stereocenter Count：2
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2

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