CAS 1078-28-0 6-Methoxyquinaldine (HCID 70648)

Names & identifiers

Preferred name: 6-Methoxyquinaldine
IUPAC: 6-methoxy-2-methylquinoline
English name: 6-Methoxyquinaldine
Molecular formula: C11H11NO
Molecular weight: 173.21

Names & synonyms

6-Methoxy-2-methylquinoline6-Methoxyquinaldine1078-28-02-Methyl-6-methoxyquinolineQuinoline, 6-methoxy-2-methyl-Quinaldine, 6-methoxy-NSC 15557NSC-15557YC360F525AEINECS 214-080-1UNII-YC360F525ADTXSID70148246

Show more names

6-Methoxyquildine, 99%6-Methoxyquinaldine98%6-Methoxyquinaldine,97%6-Methoxy-2-methylquinoline>6-Methoxy-2-methylquinoline, 98.5%

RefChem:104960Quinaldine, 6-methoxy-(8CI)DTXCID5070737Quinoline, 6-methoxy-2-methyl-(9CI)InChI=1/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2HNAGJQQFMJKMXJQ-UHFFFAOYSA-N6-methoxy-2-methyl-quinolineMFCD00006761

Database identifiers

CAS: 1078-28-0
PubChem CID: 70648
DTXSID: DTXSID70148246
UNII: YC360F525A
EC Number: 214-080-1
Nikkaji: J143.875A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: 62 · 62-64 °C(lit.)
Boiling point: 303.86 °C · 303.86°C (rough estimate)
Density: 0.973 · 0.973
refractive index: 1.495 · 1.4950 (estimate)
Flash point: 47 ° · 47°(117°F)
storage temp.: Sealed in dry,Room Temperature
form: Fluffy Crystalline Powder
pka: 5.87 · 5.87±0.43(Predicted)
color: Beige to gray
InChI: 1S/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2H3
InChIKey: NAGJQQFMJKMXJQ-UHFFFAOYSA-N
SMILES: COc1ccc2nc(C)ccc2c1
CAS DataBase Reference: 1078 · 1078-28-0(CAS DataBase Reference)
FDA UNII: 360 F525A · YC360F525A
NIST Chemistry Reference: 6 · Quinoline, 6-methoxy-2-methyl-(1078-28-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29334900 · 29334900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29334900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses6-Methoxyquinaldine was used in the preparation and characterization of three RNA-specific fluorescent probes (E36, E144and F22) and their applications in live cell imaging.

General Description6-Methoxyquinaldine is starting reagent for the synthesis of 2-(-dialkylaminoethyl)-1,2,3,4-tetrahydroquinolines and their derivatives.