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Home> Hot Product Listed 1   > 1-Oxa-2,7-diazaspiro[4.4]non-2-en-6-one,3-(2-fluorophenyl)-8,8-dimethyl-
39968-33-7 structure

1-Oxa-2,7-diazaspiro[4.4]non-2-en-6-one,3-(2-fluorophenyl)-8,8-dimethyl-

Iupac Name:3-hydroxytriazolo[4,5-b]pyridine
CAS No.:39968-33-7
Molecular Weight:136.11146
Molecular Formula:C32H52N·I (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H
InChkey
FPIRBHDGWMWJEP-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(N=C1)N(N=N2)O
Properties
Melting Point
213-216℃
Refractive Index
n20/D 1.441
Safety and Handling
Risk Statements
R11;R36/37/38;R5
Safety Statements
S16;S26;S37/39
Transport
OTH
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Explosives, Division 1.4

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H204 Fire or projection hazard

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P234 Keep only in original packaging.

P240 Ground and bond container and receiving equipment.

P250 Do not subject to grinding/shock/friction/\u2026.

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

P264 Wash ... thoroughly after handling.

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

Response

P370+P372+P380+P373 In case of fire: Explosion risk. Evacuate area. DO NOT fight fire when fire reaches explosives.

P370+P380+P375 In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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.

Storage

P401 Store in accordance with\u2026

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:136.11146g/mol
  • Molecular Formula:C32H52N·I
  • Exact Mass:136.038511
  • Monoisotopic Mass:136.038511
  • Complexity:131
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.8
  • 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
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