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Home> Encyclopedia > Hot Product Listed 8   > 8-AZAHYPOXANTHINE
2683-90-1 structure

8-AZAHYPOXANTHINE

Iupac Name:2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one
CAS No.:2683-90-1
EINECS(EC#): 220-244-3
Molecular Weight:137.1
Molecular Formula:C4H3N5O (isomer)
Names and Identifiers
Synonyms

1,4-Dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL 4,5-dihydro-1H-triazolo(4,5-d)pyrimidin-4-ol 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 1,4-dihydro- (9CI) 7H-1,2,3-Triazolo4,5-dpyrimidin-7-one, 1,4-dihydro- 8-AZAHYPOXANTHINE HYDRATE 8-Azahypoxanthine,98%

Inchi
InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)
InChkey
OEEYCNOOAHGFHL-UHFFFAOYSA-N
Canonical Smiles
C1=NC(=O)C2=NNNC2=N1
Properties
Density
1.5530 (rough estimate)
Boiling Point
251.91°C (rough estimate)
Refractive Index
1.8000 (estimate)
Solubility
1 g dissolves in 0.8 ml water; sol in pyridine & hot alc
Color/Form
Light yellow to light beige
HS Code
2933990090
Spectral properties
SADTLER REFERENCE NUMBER: 1068 (IR, PRISM)
Specific optical rotation: +92 deg & +18.6 deg (16 hr, 10%) @ 20 deg C/D
IR: 15302 (Sadtler Research Laboratories IR Grating Collection)
UV: 6-55 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
NMR: 7074 (Sadtler Research Laboratories Spectral Collection)
Safety and Handling
Risk Statements
36/37/38
Safety Statements
24/25
Safety

Safety Information of D-(-)-Arabinose? (CAS NO.10323-20-3):
Hazard Codes:?HarmfulXn
Risk Statements: 20/21/22-36/37/38?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R36/37/38: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
F: 3-10

Formulations/Preparations
Grades: Reagent, Technical
Specification

?D-(-)-Arabinose (CAS NO.10323-20-3), its Synonyms are Arabinose,d ; D-Arabinose ; beta-D-(-)-Arabinose ; Pentopyranose ; D-Arabinose (9CI) .

Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – 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/…if 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

Computational chemical data
  • Molecular Weight:137.1g/mol
  • Molecular Formula:C4H3N5O
  • Compound Is Canonicalized:True
  • Exact Mass:137.034
  • Monoisotopic Mass:137.034
  • Complexity:275
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:78.2A^2
  • Heavy Atom Count:10
  • 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: AAADcQBjoAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAEAAAAAAHgAYAAAACAgBgAQBAAJiAAAo AQMxNAAAAAEAAAIQIAEgAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:021-67121386 800-988-0390
  • Fax:021-67121385
  • Tel:400-666-7788 +86-10-82848833
  • Fax:+86-10-82849933
  • Tel:+44 (0) 8707 746454
  • Fax:+44 (0) 8707 746455
  • Tel:(01457) 868921 (4 lines)
  • Fax:(01457) 869360/860927
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:+1-(631)-273-0900
  • Fax:+1-(631)-273-0858
 
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