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Home> Encyclopedia > Hot Product Listed 5   > 5-Isoxazoleacetic acid,a-amino-2,3-dihydro-3-oxo-
60558-96-5 structure

5-Isoxazoleacetic acid,a-amino-2,3-dihydro-3-oxo-

Iupac Name:N,N,N',N'-tetraethylpropane-1,3-diamine
CAS No.:60558-96-5
Molecular Weight:186.33754
Molecular Formula:C14H14CLNO (isomer)
Properties
Appearance
White powder
Density
1.6
Refractive Index
n20/D 1.4377(lit.)
HS Code
2921290000
Storage temp
-20°C
Safety and Handling
Risk Statements
34
Safety Statements
S26;S27;S45;S36;S37;S39
Safety

Hazard Codes: ToxicT,HarmfulXn
Risk Statements: 23/24/25-40
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. 
R40: Limited evidence of a carcinogenic effect.
Safety Statements: 45-38-36/37/39-28-22
S22: Do not breathe dust. 
S28: After contact with skin, wash immediately with plenty of soap-suds. 
S38: In case of insufficient ventilation, wear suitable respiratory equipment. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 1544
RTECS: NY2100000
HazardClass: 6.1(b)
PackingGroup: III

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15mg/kg (15mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968.
mouse LD50 oral 38mg/kg (38mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968.
rat LD50 intravenous 42mg/kg (42mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968.
rat LD50 oral 129mg/kg (129mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968.

PackingGroup
III
Transport
UN 2735 8
Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Store in a tightly closed container. Deep freeze (below -20°C).

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

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:186.33754g/mol
  • Molecular Formula:C14H14CLNO
  • Exact Mass:186.209599
  • Monoisotopic Mass:186.209599
  • Complexity:84.3
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:6.5
  • Heavy Atom Count:13
  • 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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Recommended Suppliers
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:2035740075
  • Fax:+203-574-3181
  • Tel:800 932 5000
  • Fax:610 436 1761
  • Tel:+421 2 62412268
  • Fax:+421 2 62520174
  • Tel:+1-(978)-521-6300
  • Fax:+1-(978)-521-6350
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+81 3 3663 7631
  • Fax:+81 3 3667 8277
 
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