Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed I   > I14-8647
12069-69-1 structure

I14-8647

CAS No.:12069-69-1
Molecular Weight:221.11558
Molecular Formula:C15H22CLN5O2 (isomer)
Names and Identifiers
Synonyms

4,5-dihydro-4-methyl-5-oxo-1-phenyl-1h-1,2,4-triazole-3-carboxylic acid 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxylic acid 4-methyl-5-oxo-1-phenyl-4,5-dihydro-1h-1,2,4-triazole-3-carboxylic acid AJ-116607 AK142581 AKOS015918101 AX8282399 BG00309734 DA-19218 DTXSID60676907 FT-0718766 ZINC66351891

Inchi
InChI=1/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4
Canonical Smiles
C(=O)([O-])[O-].[OH-].[OH-].[Cu+2].[Cu+2]
Properties
Melting Point
200℃
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S26;S36
HazardClass
6.1
PackingGroup
III
Transport
UN3288
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H332 Harmful if inhaled

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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.

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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/\u2026if you feel unwell.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:221.11558g/mol
  • Molecular Formula:C15H22CLN5O2
  • Exact Mass:219.849425
  • Monoisotopic Mass:219.849425
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:65.2
  • Heavy Atom Count:8
  • 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:5
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-512-69209808
  • Fax:86-512-69209855
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-512-57566117
  • Fax:86-0512-57566118
  • Tel:86-311-66600578
  • Fax:86-311-66600576
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-512-69209808
  • Fax:86-512-69209855
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-512-57566117
  • Fax:86-0512-57566118
  • Tel:86-311-66600578
  • Fax:86-311-66600576
 
<