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| CAS No.: | 95-20-5 |
|---|---|
| Name: | 2-Methylindole |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9N |
| Molecular Weight: | 131.177 |
| Synonyms: | Indole, 2-methyl-;2-Methyl-1Hindole;Indole, 2-methyl- (8CI);2-Methyl-1H-indole;1H-indole, 2-methyl-; |
| EINECS: | 202-398-3 |
| Density: | 1.11g/cm3 |
| Melting Point: | 57-59 °C(lit.) |
| Boiling Point: | 272 °C at 760 mmHg |
| Flash Point: | 112.5 °C |
| Solubility: | Insoluble in water. |
| Appearance: | yellow to reddish-purple or brown crystals, flakes |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 36/37-24/25 |
| PSA: | 15.79000 |
| LogP: | 2.47630 |
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Chemistry
IUPAC Name: 2-methyl-1H-indole
Empirical Formula: C9H9N
Molecular Weight: 131.1745g/mol
EINECS: 202-398-3
Structure of 2-Methylindole (CAS NO.95-20-5):
Index of Refraction: 1.654
Molar Refractivity: 43.35 cm3
Molar Volume: 118.1 cm3
Polarizability: 17.18×10-24cm3
Surface Tension: 46.4 dyne/cm
Density: 1.11 g/cm3
Flash Point: 112.5 °C
Enthalpy of Vaporization: 48.97 kJ/mol
Melting Point: 57-59 °C(lit.)
Boiling Point: 272 °C at 760 mmHg
Vapour Pressure: 0.0104 mmHg at 25°C
Sensitive: Light Sensitive
Product Categories: Intermediates of Dyes and Pigments;Indoles and derivatives;Indole;Indoles;Simple Indoles;Building Blocks;Heterocyclic Building Blocks
Canonical SMILES: CC1=CC2=CC=CC=C2N1
InChI: InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N
Uses
2-Methylindole (CAS NO.95-20-5) is used as an intermediate for synthesizing dyes, pigments, optical brighteners, and pharmaceuticals.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 262mg/kg (262mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974. |
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37-24/25
S36/37:Wear suitable protective clothing and gloves.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: NM0345000
F: 8-10-13-23
HS Code: 29339990
Specification
2-Methylindole , its cas register number is 95-20-5. It also can be called 2-Methyl-1H-indole ; AI3-03945 ; NSC 7514 ; Indole, 2-methyl- (8CI) . 2-Methylindole (CAS NO.95-20-5) is a yellow to reddish-purple or brown crystals, flakes.