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Home> Encyclopedia > Hot Product Listed 5   > 5,7-Dodecadiene,(5E,7E)-
82-45-1 structure

5,7-Dodecadiene,(5E,7E)-

CAS No.:82-45-1
Molecular Weight:223.22676
Molecular Formula:C10H10CLN3O (isomer)
Names and Identifiers
Synonyms

(E,E)-Dodeca-5,7-diene 5,7-Dodecadiene,(E,E)- (8CI) trans,trans-5,7-Dodecadiene

Inchi
InChI=1/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
InChkey
KHUFHLFHOQVFGB-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N
Properties
Melting Point
251℃
Refractive Index
1.707
Flash Point
678.4°C
HS Code
29223900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H312 Harmful in contact with skin

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

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.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

P362+P364 Take off contaminated clothing and wash it before reuse.

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

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:223.22676g/mol
  • Molecular Formula:C10H10CLN3O
  • XLogP3-AA:3.2
  • Exact Mass:223.063329
  • Monoisotopic Mass:223.063329
  • Complexity:352
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:60.2
  • Heavy Atom Count:17
  • 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
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