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Home> Hot Product Listed 1   > 1,4-Oxazepine,2,3,4,5-tetrahydro-5,5,7-trimethyl-
16961-83-4 structure

1,4-Oxazepine,2,3,4,5-tetrahydro-5,5,7-trimethyl-

Iupac Name:hexafluorosilicon(2-);hydron
CAS No.:16961-83-4
Molecular Weight:144.091
Molecular Formula:C12H12N2O2 (isomer)
Names and Identifiers
Synonyms

1-(3-fluoro-4-{4-[(4-fluorophenyl)carbonyl]piperazin-1-yl}phenyl)propan-1-one 1-(3-fluoro-4-{4-[(4-fluorophenyl)carbonyl]piperazinyl}phenyl)propan-1-one 1-[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one 1-{3-fluoro-4-[4-(4-fluorobenzoyl)-1-piperazinyl]phenyl}-1-propanone 1-{3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl}propan-1-one 1-propanone, 1-[3-fluoro-4-[4-(4-fluorobenzoyl)-1-piperazinyl]phenyl]- A2501/0106427 AC1LK7DQ AKOS001625266 BIM-0038085.P001 CBMICRO_038207 CHEMBL1462622 DTXSID90359897 HMS2730G09 MLS000681340 MOLPORT-001-511-259 OPREA1_513649 smr000267725 ST051107 STK764435 ZINC709388

Inchi
InChI=1S/F6Si/c1-7(2,3,4,5)6/q-2/p+2
InChkey
OHORFAFFMDIQRR-UHFFFAOYSA-P
Canonical Smiles
[H+].[H+].F[Si-2](F)(F)(F)(F)F
Properties
Boiling Point
785°C at 760 mmHg
Refractive Index
1.3500
HS Code
28111990
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S27;S45
HazardClass
8
PackingGroup
II
Transport
UN 1778
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 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Agropolychim JSC 2011
Amberger Kaolinwerke Eduard Kick GmbH & Co. KG 2016
BIGE HOLDING KFT 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

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

Storage

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:144.091g/mol
  • Molecular Formula:C12H12N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:143.983
  • Monoisotopic Mass:143.983
  • Complexity:62.7
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:7
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcQAAAcgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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