CAS 877-43-0 2,6-Dimethylquinoline (HCID 13414)

Names & identifiers

Preferred name: 2,6-Dimethylquinoline
IUPAC: 2,6-dimethylquinoline
English name: 2,6-DIMETHYLQUINOLINE
Molecular formula: C11H11N
Molecular weight: 157.21

Names & synonyms

2,6-DIMETHYLQUINOLINE877-43-06-Methylquinaldinep-ToluquinaldineQuinoline, 2,6-dimethyl-2,6-dimethyl quinolineKST0M1T4MBNSC-1782DTXSID0044153RefChem:83341DTXCID8024153212-891-5

Show more names

6-Methylquildine, 99%2,6-dimethyl-quinolin2,6-Dimethylquinoline >2,6-Dimethylquinoline,98%2,6-DiMethylquinoline, 98% 10GR2,6-Dimethylquinoline, 10 mM in DMSO

MFCD000067622,6-Dimethyl-quinolineCHEMBL194502UNII-KST0M1T4MBNSC 1782EINECS 212-891-52.6-DimethylquinolineQuinoline,6-dimethyl-

Database identifiers

CAS: 877-43-0
PubChem CID: 13414
DTXSID: DTXSID0044153
ChEMBL: CHEMBL194502
UNII: KST0M1T4MB
EC Number: 212-891-5
Nikkaji: J7.152H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 155

Experimental & physicochemical properties

Physical DescriptionLight brown crystalline powder; [Alfa Aesar MSDS]

Kovats Retention Index · 3 items

1397；1414；1397；1414；1399；1434.7

1429；1411.8；1411.1；243.76；243.86；244.19；242.43

2019；2044；2019；2044；2019；2044；2036

Physicochemical properties

Melting point: 57 · 57-59 °C (lit.)
Boiling point: 266 · 266-267 °C
Density: 1.0491 · 1.0491 (estimate)
refractive index: 1.6103 · 1.6103 (estimate)
Flash point: 266 · 266-267°C
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline
pka: 1 · pK1:5.46(+1) (25°C)
color: White to Almost white
InChI: 1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
InChIKey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
SMILES: Cc1ccc2nc(C)ccc2c1
CAS DataBase Reference: 877 · 877-43-0(CAS DataBase Reference)
FDA UNII: 0 M1T4MB · KST0M1T4MB
EPA Substance Registry System: 2 · Quinoline, 2,6-dimethyl- (877-43-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H402-H335
Precautionary statements: 264 · P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29334900 · 29334900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Regulatory information

Regulatory Information · 2 items

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29334900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H402-H335
Precautionary statements: P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationQuinoline, 2,6-dimethyl-: ACTIVE

Applications

Uses2,6-Dimethylquinoline was used to study the inhibition potencies (IC50 values) of structurally diverse chemicals with recombinant human CYP2B6 enzyme for in vitro research purposes.