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n-[(3-fluorophenyl)methyl]-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine structure
n-[(3-fluorophenyl)methyl]-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine structure

n-[(3-fluorophenyl)methyl]-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Iupac Name:zinc;dioxido(dioxo)chromium
CAS No.:13530-65-9
Molecular Weight:181.37400
1. Names and Identifiers
1.1 Name
n-[(3-fluorophenyl)methyl]-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
1.2 Synonyms

MCULE-8508915298 MOLPORT-019-645-542 Z223818204 ZINC12485480

1.3 CAS No.
13530-65-9
1.4 CID
26089
1.5 Molecular Formula
C16H19NO4S3 (isomer)
1.6 Inchi
InChI=1S/Cr.4O.Zn/q;;;2*-1;+2
1.7 InChkey
NDKWCCLKSWNDBG-UHFFFAOYSA-N
1.8 Canonical Smiles
[O-][Cr](=O)(=O)[O-].[Zn+2]
1.9 Isomers Smiles
[O-][Cr](=O)(=O)[O-].[Zn+2]
2. Properties
3.1 Melting point
316ºC
3.1 Vapour pressure
Very low
3.1 Precise Quality
179.84900
3.1 PSA
80.26000
3.1 logP
-0.47770
3. Safety and Handling
4.1 Risk Statements
R8
4.1 Safety Statements
S17-S45-S53
4.1 Packing Group
III
4.1 Hazard Class
9
4.1 RIDADR
3087
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

Carcinogenicity, Category 1A

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

Danger

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

H350 May cause cancer

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.

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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P273 Avoid release to the environment.

Response

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/...

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.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:181.37400g/mol
  • Molecular Formula:C16H19NO4S3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:179.849305
  • Monoisotopic Mass:179.849305
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3
  • Heavy Atom Count:6
  • 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:2
6. Question & Answer
  • Prevention of rust on ferrous metals. Zinc acts as a sacrificial anode when in direct contact with iron and steel. The zinc is consumed before the protected metal can oxidize.
  • What properties of zinc chromate make it a good anticorrosion paint? I know that stainless steel is protected by a layer of chromium oxide. Is it because the zinc chromate doesn't flake off the metal it is protecting?
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