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Home> Hot Product Listed M   > MOLPORT-002-228-939
91-62-3 structure

MOLPORT-002-228-939

Iupac Name:6-methylquinoline
CAS No.:91-62-3
Molecular Weight:143.18516
Molecular Formula:C12H14CLN (isomer)
Names and Identifiers
Synonyms

4-[4-(4-chlorophenoxy)-1h-pyrazol-3-yl]-6-ethyl-1,3-benzenediol DA-05872

Inchi
InChI=1/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
InChkey
LUYISICIYVKBTA-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(C=C1)N=CC=C2
Isomers Smiles
N1C2C(=CC(C)=CC=2)C=CC=1
Properties
Melting Point
-22°C
Refractive Index
n20/D 1.614(lit.)
HS Code
29334990
Safety and Handling
Risk Statements
R22;R36/37/38;R68
Safety Statements
S26;S36/37/39;S45
Transport
200kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 91-62-3 EC: MOLPORT-002-228-939 ·ECHA C&L Inventory for CAS: CAS: 91-62-3 EC: MOLPORT-002-228-939
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

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:143.18516g/mol
  • Molecular Formula:C12H14CLN
  • XLogP3-AA:2.6
  • Exact Mass:143.073499
  • Monoisotopic Mass:143.073499
  • Complexity:133
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9
  • 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
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