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Home> Hot Product Listed T   > T6779702
37311-00-5 structure

T6779702

Iupac Name:dodecane;2-methyloxirane;oxirane
CAS No.:37311-00-5
Molecular Weight:272.46654
Molecular Formula:C18H18CLN5O5 (isomer)
Names and Identifiers
Synonyms

MCULE-8385106183 MOLPORT-009-079-158 n-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide Z647318692

Inchi
InChI=1S/C12H26.C3H6O.C2H4O/c1-3-5-7-9-11-12-10-8-6-4-2;1-3-2-4-3;1-2-3-1/h3-12H2,1-2H3;3H,2H2,1H3;1-2H2
InChkey
GMMUMXYUVFRBFV-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCC.CC1CO1.C1CO1
Safety and Handling
Safety Statements
RIDADR 3082HazardClass 9PackingGroup III
PackingGroup
III
Transport
3082
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 37311-00-5 EC: T6779702 ·ECHA C&L Inventory for CAS: CAS: 37311-00-5 EC: T6779702
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

H412 Harmful 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.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if 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.

P310 Immediately 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

Computational chemical data
  • Molecular Weight:272.46654g/mol
  • Molecular Formula:C18H18CLN5O5
  • Compound Is Canonicalized:True
  • Exact Mass:272.272
  • Monoisotopic Mass:272.272
  • Complexity:93.2
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:25.1A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAEiQAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICAAAABAAA AAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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