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  • 1H-Indole,5-methoxy-2-methyl
Name:1H-Indole,5-methoxy-2-methyl
CAS No:1076-74-0

PRODUCT DESCRIPTION

【Name】
1H-Indole,5-methoxy-2-methyl-
【Iupac name】
5-methoxy-2-methyl-1H-indole
【CAS Registry number】
1076-74-0
【Synonyms】
Indole,5-methoxy-2-methyl- (6CI,7CI,8CI)
2-Methyl-5-methoxyindole
5-Methoxy-2-methyl-1H-indole
5-Methoxy-2-methylindole
5-Methoxy-2-methyllindole
NSC 63817
【EINECS(EC#)】
214-066-5
【Molecular Formula】
C10H11NO (Products with the same molecular formula)
【Molecular Weight】
161.20
【Inchi】
InChI=1/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
【Canonical SMILES】
CC1=CC2=C(N1)C=CC(=C2)OC
【MOL File】
1076-74-0.mol

Chemical and Physical Properties

【Appearance】
white to light beige crystalline powder
【Density】
1.134g/cm3
【Melting Point】
85-88℃
【Boiling Point】
145 °C / 1.5mmHg
【Vapour】
0.00123mmHg at 25°C
【Refractive Index】
1.621
【Flash Point】
113.1°C
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:161.20044 [g/mol]
Molecular Formula:C10H11NO
XLogP3:2
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:161.084064
MonoIsotopic Mass:161.084064
Topological Polar Surface Area:25
Heavy Atom Count:12
Formal Charge:0
Complexity:160
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 Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Safety】

Hazard Codes: IrritantXi 
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin. 
Safety Statements: 37/39-26 
S37/39: Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
WGK Germany: 3
HazardClass: IRRITANT

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