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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Aldehyde & Ketone & Chinone  /  Others  /  Other Organic Chemicals  /  Agrochemical Intermediates
AK494673 structure
AK494673 structure

AK494673

Iupac Name:formaldehyde
CAS No.:30525-89-4
Molecular Weight:90.08
1. Names and Identifiers
1.1 Name
AK494673
1.2 Synonyms

3-(4-chloro-2-methoxyphenyl)isonicotinic acid 3-(4-chloro-2-methoxyphenyl)pyridine-4-carboxylic acid AKOS027436555 DTXSID90687940 mfcd18317993

1.3 CAS No.
30525-89-4
1.4 CID
712
1.5 Molecular Formula
C8H11BO4 (isomer)
1.6 Inchi
InChI=1S/CH2O/c1-2/h1H2
1.7 InChkey
WSFSSNUMVMOOMR-UHFFFAOYSA-N
1.8 Canonical Smiles
C=O
1.9 Isomers Smiles
C=O
2. Properties
3.1 Melting Point
175 °C
3.2 Vapour
<1.45 mm Hg ( 25 °C)
3.3 Refractive Index
1.4540 (estimate)
3. Safety and Handling
4.1 Risk Statements
31-43-40-36/37/38-20/22-41-37/38-42/43-20/21/22-11
4.2 Safety Statements
36-45-36/37/39-26-24-22
4.3 HazardClass
4.1
4.4 Hazard Note
H228; H302 + H332; H315; H317; H318; H335; H351
4.5 PackingGroup
III
4.6 Transport
UN 2213 4.1/PG 3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 2

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H228 Flammable solid

H302 Harmful if swallowed

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

H332 Harmful if inhaled

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

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

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P370+P378 In case of fire: Use ... to extinguish.

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.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:90.08g/mol
  • Molecular Formula:C8H11BO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:30.010564683
  • Monoisotopic Mass:30.010564683
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:2
  • 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
6. Question & Answer
  • Paraformaldehyde is a smallest polymerization product of formaldehyde. It possesses the similar features of formaldehyde, which has with a wider range of applications. Paraformaldehyde is extensively used in the manufacturing of synthetic resins like phenolic resins, thiourea, melamine formaldehyde...
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