CAS No.6872-17-9,5-Chloro-2-methylene-1,3,3-trimethylindoline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6872-17-9
Name:	5-Chloro-2-methylene-1,3,3-trimethylindoline
Article Data:	5

Formula:	C₁₂H₁₄ClN
Molecular Weight:	207.703
Synonyms:	5-Chloro-1,3,3-trimethyl-2-methyleneindoline;5-chloro-1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole;5-Chloro-2-methylene-1.3.3-trimethylindoline;
EINECS:	6872-17-9
Density:	1.13 g/cm³
Boiling Point:	288 ºC at 760 mmHg
Flash Point:	128 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	3.24000
LogP:	3.64610

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Specification

The 1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-, with the CAS registry number 6872-17-9, is also known as 1,3,3-Trimethyl-2-methylene-5-chloroindoline. It belongs to the product categories of Intermediates of Dyes and Pigments; Organics; Indoline & Oxindole; Indolines Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Indolines. Its EINECS number is 229-972-6. This chemical's molecular formula is C₁₂H₁₄ClN and formula weight is 207.70. What's more, its IUPAC name is 5-Chloro-1,3,3-trimethyl-2-methyleneindoline.

Physical properties of 1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/BCF (pH 5.5): 413.52; (5)ACD/KOC (pH 5.5): 2597.08; (6)ACD/KOC (pH 7.4): 2597.19; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)Polar Surface Area: 3.24 Å²; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 60.73 cm³; (12)Molar Volume: 182.6 cm³; (13)Surface Tension: 39.4 dyne/cm; (14)Density: 1.13 g/cm³; (15)Flash Point: 128 °C; (16)Enthalpy of Vaporization: 52.72 kJ/mol; (17)Boiling Point: 288 °C at 760 mmHg; (18)Vapour Pressure: 0.00241 mmHg at 25°C.

Uses of 1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-: it can be used to produce 5'-chloro-1',3',3'-trimethyl-6-nitro-1',3'-dihydro-sπro[chromene-2,2'-indole] by heating. It will need solvent ethanol. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C
(2)InChI: InChI=1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3
(3)InChIKey: VDMXGJJMPKAYQP-UHFFFAOYSA-N