Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 1   > 1,8-Diazabicyclo[5.4.0]undec-7-ene
6674-22-2 structure

1,8-Diazabicyclo[5.4.0]undec-7-ene

Iupac Name:2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CAS No.:6674-22-2
EINECS(EC#): 229-713-7
Molecular Weight:152.24
Molecular Formula:C9H16N2 (isomer)
Names and Identifiers
Synonyms

1,5-DIAZABICYCLO(5,4,0)UNDEC-5-ENE 1,8-DIAZABICYCLO(5,4,0)UNDECENE-7 1,8-DIAZABICYCLO[5,4,0]-7-UNDECENE 1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE (1,5-5) 1,8-DIAZEBICYCLO[5.4.0]UNDEC-7-ENE 2,3,4,6,7,8,9,10-OCTAHYDROPYRIMIDO[1,2-A]AZEPINE 2,3,4,6,7,8,9,10-OCTAHYDROPYRIMIDOL[1,2-A]AZEPINE

Inchi
InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
InChkey
GQHTUMJGOHRCHB-UHFFFAOYSA-N
Canonical Smiles
C1CCC2=NCCCN2CC1
Properties
Appearance
light yellow liquid
Density
1.019 g/mL at 20 °C(lit.)
Melting Point
-70 °C
Boiling Point
80-83 °C0.6 mm Hg(lit.)
Vapour
5.3 mm Hg ( 37.7 °C)
Refractive Index
n20/D 1.523
Flash Point
>230 °F
Solubility
soluble
Color/Form
Clear colorless to light yellow
Other physical and chemical properties
CBI
Stability
Stable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.
HS Code
29339930
Storage temp
Store at R.T.
Safety and Handling
Hazard Codes
C,F
Risk Statements
22-34-52/53-35-40-37-19-11-67
Safety Statements
26-36/37/39-45-61-27-16
HazardClass
8
Safety

Hazard Codes?of DBU (CAS NO.6674-22-2):?CorrosiveC
Risk Statements: 22-34-52/53-35?
R22:Harmful if swallowed.?
R34: Causes burns.?
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R35: Causes severe burns.
Safety Statements: 26-36/37/39-45-61-27?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.?
S27: Take off immediately all contaminated clothing.
RIDADR:? UN 3267 8/PG 2
WGK Germany: 2
F: 34
HazardClass: 8
PackingGroup: II
HS Code: 29339930

PackingGroup
II
Sensitive
Air Sensitive
Transport
UN 3267 8/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

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

Precursor and Product
Computational chemical data
  • Molecular Weight:152.24g/mol
  • Molecular Formula:C9H16N2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:152.131
  • Monoisotopic Mass:152.131
  • Complexity:163
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:15.6A^2
  • Heavy Atom Count:11
  • 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: AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAABYAAAAAAAAAAHAAAAAAACADBAAQBAAMAAAAg AAIgJAAAAAEAAAABAAA4AAAAAAIAyAAEAAAAAACAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-021-13042155638
  • Fax:0086-021-209316121
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-371-86658258
  • Fax:86-371-86658258
Recommended Suppliers
  • Tel:0086-021-13042155638
  • Fax:0086-021-209316121
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-371-86658258
  • Fax:86-371-86658258
 
<