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Home> Hot Product Listed B   > Boronic acid, (2-ethoxy-5,6,7,8-tetrahydro-1-naphthalenyl)- (9CI)
13327-31-6 structure

Boronic acid, (2-ethoxy-5,6,7,8-tetrahydro-1-naphthalenyl)- (9CI)

Iupac Name:6-iodoquinoline
CAS No.:13327-31-6
Molecular Weight:255.058
Molecular Formula:C5H6N2O2 (isomer)
Names and Identifiers
Synonyms

(2-ethoxy-5,6,7,8-tetrahydro-1-naphthalenyl)boronic acid (2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)boronic acid AK455267 AKOS027411017 DTXSID90624239 KB-276512 OR138344 SCHEMBL6167338 ZINC197020588

Inchi
InChI=1S/C9H6IN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
InChkey
WKTASELJZCIVBR-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=CC(=C2)I)N=C1
Properties
Melting Point
91°C
Vapour
0.000585mmHg at 25°C
Refractive Index
1.724
HS Code
29334900
Safety and Handling
Risk Statements
22-41
Safety Statements
26-24/25
Hazard Note
H302; H318
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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:255.058g/mol
  • Molecular Formula:C5H6N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.9
  • Exact Mass:254.954
  • Monoisotopic Mass:254.954
  • Complexity:138
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9A^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: AAADcYByAAAAAgAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAgAAAADAjDHgQ8wPIIEACg AzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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