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1640-39-7

Basic Information
CAS No.: 1640-39-7
Name: 2,3,3-Trimethylindolenine
Article Data: 126
Molecular Structure:
Molecular Structure of 1640-39-7 (2,3,3-Trimethylindolenine)
Formula: C11H13N
Molecular Weight: 159.231
Synonyms: 2,3,3-Trimethyl-3H-indole;2,3,3-Trimethylindole;3H-Indole,2,3,3-trimethyl-;NSC 65633;
EINECS: 216-685-6
Density: 0.99 g/cm3
Melting Point: 6-8 °C
Boiling Point: 227.2 °C at 760 mmHg
Flash Point: 82.8 °C
Appearance: clear yellow to red-brown liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 12.36000
LogP: 2.50580
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Chemistry

Molecule structure of 2,3,3-Trimethylindolenine (CAS NO.1640-39-7):

IUPAC Name: 2,3,3-Trimethylindole 
Molecular Weight: 159.22762 g/mol
Molecular Formula: C11H13
Density: 0.99 g/cm3 
Melting Point: 6-8 °C
Boiling Point: 227.2 °C at 760 mmHg 
Flash Point: 82.8 °C
Index of Refraction: 1.552
Molar Refractivity: 51.17 cm3
Molar Volume: 159.9 cm3 
Surface Tension: 32.3 dyne/cm 
Enthalpy of Vaporization: 44.49 kJ/mol
Vapour Pressure: 0.118 mmHg at 25 °C
XLogP3-AA: 2.3
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 159.104799
MonoIsotopic Mass: 159.104799
Topological Polar Surface Area: 12.4
Heavy Atom Count: 12
Canonical SMILES: CC1=NC2=CC=CC=C2C1(C)C
InChI: InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
InChIKey: FLHJIAFUWHPJRT-UHFFFAOYSA-N
EINECS: 216-685-6
Product Categories: Intermediates of Dyes and Pigments; Indoles and derivatives; Indole; Piperazine derivates; Indoles

Uses

 2,3,3-Trimethylindolenine (CAS NO.1640-39-7) is used in the synthesis of dyes.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1
F: 10

Specification

 2,3,3-Trimethylindolenine (CAS NO.1640-39-7) is also named as 2,3,3-Trimethyl-3H-indole ; AI3-51456 ; CCRIS 6607 ; NSC 65633 ; 3H-Indole, 2,3,3-trimethyl- . 2,3,3-Trimethylindolenine (CAS NO.1640-39-7) is clear yellow to red-brown liquid.