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Home> Hot Product Listed B   > Benzeneoctadecanoic acid sodium salt
2834-05-1 structure

Benzeneoctadecanoic acid sodium salt

Iupac Name:11-bromoundecanoic acid
CAS No.:2834-05-1
Molecular Weight:265.18724
Molecular Formula:C13H8N3NAO6 (isomer)
Names and Identifiers
Synonyms

benzeneoctadecanoic acid, sodium salt benzeneoctadecanoic acid, sodium salt (1:1) benzeneoctadecanoicacidsodiumsalt LP012450 SCHEMBL1289787 sodium 18-phenyloctadecanoate sodium benzeneoctadecanoate

Inchi
InChI=1/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
InChkey
IUDGNRWYNOEIKF-UHFFFAOYSA-N
Canonical Smiles
C(CCCCCBr)CCCCC(=O)O
Properties
Density
2.007
Melting Point
48-51℃
Boiling Point
962.7°C at 760 mmHg
Vapour
5.99E-06mmHg at 25°C
Flash Point
355.4°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

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

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:265.18724g/mol
  • Molecular Formula:C13H8N3NAO6
  • XLogP3-AA:4.5
  • Exact Mass:264.072493
  • Monoisotopic Mass:264.072493
  • Complexity:137
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:14
  • 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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