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6-methyl-quinolin(CAS No. 91-62-3)

6-methyl-quinolin C10H9N (cas 91-62-3) Molecular Structure

91-62-3 Structure

Identification and Related Records

【Name】
6-methyl-quinolin
【Iupac name】
6-methylquinoline
【CAS Registry number】
91-62-3
【Synonyms】
p-Methylquinoline
FEMA 2744
6-METHYL QUINOLINE
P-TOLUQUINOLINE
PARA METHYL QUINOLINE
6-METHYLQUINOLINE 98+%
Quinoline, 6-methyl-
6-methy quinoline
6-Methyl-chinolin
Quinoline,6-methyl
Tolliquinoline,p
【EINECS(EC#)】
202-084-6
【Molecular Formula】
C10H9N (Products with the same molecular formula)
【Molecular Weight】
143.18500
【Inchi】
InChI=1/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
【InChIKey】
LUYISICIYVKBTA-UHFFFAOYSA-N
【Canonical SMILES】
CC1=CC2=C(C=C1)N=CC=C2
【Isomers smiles】
N1C2C(=CC(C)=CC=2)C=CC=1
【MOL File】
91-62-3.mol

Chemical and Physical Properties

【Appearance】
yellow liquid
【Density】
1.067
【Melting Point】
-22°C
【Boiling Point】
259℃
【Refractive Index】
n20/D 1.614(lit.)
【Flash Point】
>230 °F
【Water】
sparingly soluble
【Solubilities】
sparingly soluble
【Color/Form】
green-yellow
【Stability】
Stable under normal temperatures and pressures. Light sensitive.
【HS Code】
29334990
【Storage temp】
Refrigerator (approx 4 C). Keep containers tightly closed. Store protected from light. Store in a cool, dry area away from incompatible substances.
【Computed Properties】
Molecular Weight:143.18516 [g/mol]
Molecular Formula:C10H9N
XLogP3:2.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:143.073499
MonoIsotopic Mass:143.073499
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Formal Charge:0
Complexity:133
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/37/38;R68
【Safety Statements 】
S26;S36/37/39;S45
【Safety】

Poison by intraperitoneal route. Moderately toxic by ingestion. Mildly toxic by skin contact. Mutation data reported. A skin irritant. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: Xn
Risk Statements: 22-38-68-36/37/38
22:  Harmful if swallowed 
38:  Irritating to the skin 
68:  Possible risk of irreversible effects 
36/37/38:  Irritating to eyes, respiratory system and skin 
Safety Statements: 26-36-45-36/37/39
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
36/37/39:  Wear suitable protective clothing, gloves and eye/face protection 
WGK Germany: 3
RTECS: VC0550000
HS Code: 29334990 .

【Sensitive】
Light Sensitive
【Transport】
200kgs
【Specification】

 6-Methylquinoline (91-62-3) should be stored in a cool, ventilated warehouse. Away from fire and heat sources,and prevent direct sunlight.

【Report】

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Supplier Location

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