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EINECS 204-235-1
CAS No. 118-12-7 Density 1 g/cm3
Solubility negligible in water Melting Point -8 °C
Formula C12H15N Boiling Point 248 °C at 760 mmHg
Molecular Weight 173.25 Flash Point 101.7 °C
Transport Information UN 3082 9/PG 3 Appearance clear red liquid
Safety 28-60-61-57-37 Risk Codes 22-38-50/53
Molecular Structure Molecular Structure of 118-12-7 (1,3,3-Trimethyl-2-methyleneindoline) Hazard Symbols HarmfulXn,DangerousN

Indoline,1,3,3-trimethyl-2-methylene- (6CI,7CI,8CI);1,2-Dihydro-1,3,3-trimethyl-2-methyleneindole;1,3,3-Trimethyl-2-methylene-2,3-dihydroindole;1,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline;2,3-Dihydro-1,3,3-trimethyl-2-methyleneindole;2-Methylene-1,3,3-trimethylindoline;Fischer base;Fischer's base;Fischer'smethylene base;NSC 66176;1,3,3-Trimethyl-2-methylidene-2,3-dihydro-1H-indole;


1,3,3-Trimethyl-2-methyleneindoline Consensus Reports

Reported in EPA TSCA Inventory.

1,3,3-Trimethyl-2-methyleneindoline Specification

The 1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene-, with the CAS registry number 118-12-7, is also known as 1,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline. It belongs to the product categories of Intermediates of Dyes and Pigments; Indole. Its EINECS number is 204-235-1. This chemical's molecular formula is C12H15N and molecular weight is 173.25. What's more, its systematic name is 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire. It is mainly used as a cationic dye intermediates.

Physical properties of 1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene- are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/BCF (pH 7.4): 145.97; (5)ACD/KOC (pH 5.5): 1231.9; (6)ACD/KOC (pH 7.4): 1232.49; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 55.9 cm3; (13)Molar Volume: 171.6 cm3; (14)Polarizability: 22.16×10-24cm3; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1 g/cm3; (17)Flash Point: 101.7 °C; (18)Enthalpy of Vaporization: 48.52 kJ/mol; (19)Boiling Point: 248 °C at 760 mmHg; (20)Vapour Pressure: 0.0249 mmHg at 25°C.

Preparation: first reactions of condensation and closed-loop between phenylhydrazine and methyl ethyl ketone are conducted, then methylating with toluenesulfonic acid methyl ester, finally neutralizing with ammonia water.

Uses of 1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene-: it can be used to produce (1,3,3-trimethyl-indolin-2-yliden)-acetone at the temperature of 40 °C. It will need reagent triethylamine and solvent benzene with the reaction time of 2 hours. The yield is about 80%.

1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene- can be used to produce (1,3,3-trimethyl-indolin-2-yliden)-acetone at the temperature of 40 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and is irritating to skin. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. After contact with skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you need wear suitable gloves. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment just refering to special instructions/safety data sheet. Moreover, you need use appropriate containment to avoid environmental contamination.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1C(C(=C)\N2C)(C)C
(2)Std. InChI: InChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07782.

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