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Home> Hot Product Listed 2   > 2H-Pyran-3-carboxaldehyde, tetrahydro-2,2-dimethyl- (9CI)
25702-80-1 structure

2H-Pyran-3-carboxaldehyde, tetrahydro-2,2-dimethyl- (9CI)

Iupac Name:chloroethene;prop-2-enoic acid
CAS No.:25702-80-1
Molecular Weight:134.559
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

2,2-dimethyloxane-3-carbaldehyde 2,2-dimethyltetrahydropyran-3-carbaldehyde 2h-pyran-3-carboxaldehyde,tetrahydro-2,2-dimethyl- 2h-pyran-3-carboxaldehyde,tetrahydro-2,2-dimethyl-(9ci) AKOS016015962 CTK8G7507 HE124083 SCHEMBL17541868

Inchi
InChI=1S/C3H4O2.C2H3Cl/c1-2-3(4)5;1-2-3/h2H,1H2,(H,4,5);2H,1H2
InChkey
SQNNHEYXAJPPKH-UHFFFAOYSA-N
Canonical Smiles
C=CC(=O)O.C=CCl
Properties
Boiling Point
643.3°C at 760 mmHg
Vapour
3.42mmHg at 25°C
HS Code
39044000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
Hazard Note
H315; H319; H335; H412
Transport
UN 3077 9/PG 3
Reach Info
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

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

H412 Harmful to aquatic life with long lasting effects

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.

P273 Avoid release to the environment.

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:134.559g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:134.013
  • Monoisotopic Mass:134.013
  • Complexity:66.2
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^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:2
  • CACTVS Substructure Key Fingerprint: AAADcYBgMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIACAAACAOAgEAACAAAAgCI ACDSCAAAAAAAAAAIAAAAAEAABAAAAAAAAAAAAAAAEIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:+86-311-89801776
  • Fax:+86-311-85234960
  • Tel:585 265 0413
  • Fax:585-265-1390
  • Tel:+86-311-89801776
  • Fax:+86-311-85234960
 
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