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Home> Encyclopedia > Hot Product Listed 6   > 6,7-Octadienoic acid,2-amino-, methyl ester, (2S)-
3380-34-5 structure

6,7-Octadienoic acid,2-amino-, methyl ester, (2S)-

CAS No.:3380-34-5
Molecular Weight:289.54178
Molecular Formula:C9H7CLN2 (isomer)
Names and Identifiers
Synonyms

6,7-Octadienoicacid, 2-amino-, methyl ester, (S)- (9CI)

Inchi
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChkey
XEFQLINVKFYRCS-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
Properties
Melting Point
56-60℃
HS Code
2909500000
Safety and Handling
Risk Statements
R36/38
Safety Statements
S22;S24/25
HazardClass
9
PackingGroup
III
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

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.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

P391 Collect spillage.

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:289.54178g/mol
  • Molecular Formula:C9H7CLN2
  • Exact Mass:287.951163
  • Monoisotopic Mass:287.951163
  • Complexity:252
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5
  • 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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