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Home> Hot Product Listed 2   > 2-Thiabicyclo[3.2.1]octane(6CI,8CI,9CI)
3069-29-2 structure

2-Thiabicyclo[3.2.1]octane(6CI,8CI,9CI)

Iupac Name:N'-[3-[dimethoxy(methyl)silyl]propyl]ethane-1,2-diamine
CAS No.:3069-29-2
EINECS(EC#): 280-221-9
Molecular Weight:206.36
Molecular Formula:C30H44O9 (isomer)
Names and Identifiers
Synonyms

3-thiabicyclo[3.2.1]octane

Inchi
InChI=1S/C8H22N2O2Si/c1-11-13(3,12-2)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3
InChkey
MQWFLKHKWJMCEN-UHFFFAOYSA-N
Canonical Smiles
CO[Si](C)(CCCNCCN)OC
Properties
Boiling Point
226.3°C at 760 mmHg
Refractive Index
n20/D 1.450
Flash Point
129°C
Safety and Handling
Risk Statements
41-43-34-41/43
Safety Statements
26-39-45-36/37/39
HazardClass
8
PackingGroup
III
Transport
UN 3267 8/PG 2
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Clariant Produkte (Deutschland) GmbH 2015
Dow Corning Europe S.A. - OR - China 2013
Dow Corning Europe S.A. - OR - DCC 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1A

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

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.

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

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/...

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

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:206.36g/mol
  • Molecular Formula:C30H44O9
  • Compound Is Canonicalized:True
  • Exact Mass:206.145
  • Monoisotopic Mass:206.145
  • Complexity:121
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:56.5A^2
  • Heavy Atom Count:13
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceBzMAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHhAQAEAACADBIAZCAALAAAEA AAAAAAAAAAAAAAAAAIAIAAAAQAAAAAAUAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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