5-Chloro-2-methylene-1,3,3-trimethylindoline - CAS 6872-17-9
Catalog: |
BB033620 |
Product Name: |
5-Chloro-2-methylene-1,3,3-trimethylindoline |
CAS: |
6872-17-9 |
Synonyms: |
5-chloro-1,3,3-trimethyl-2-methylideneindole |
IUPAC Name: | 5-chloro-1,3,3-trimethyl-2-methylideneindole |
Description: | 5-Chloro-2-methylene-1,3,3-trimethylindoline (CAS# 6872-17-9) is a useful research chemical. |
Molecular Weight: | 207.70 |
Molecular Formula: | C12H14ClN |
Canonical SMILES: | CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C |
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 |
InChI Key: | VDMXGJJMPKAYQP-UHFFFAOYSA-N |
Boiling Point: | 139 °C / 11 mmHg |
Purity: | 95 % |
Density: | 1.083 g/cm3 |
Appearance: | Orange to brown to dark purple clear liquid |
MDL: | MFCD00005814 |
LogP: | 3.64610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111440193-A | Indene-thick naphtho-spirooxazine photochromic compound and preparation method thereof | 20200520 |
JP-2019174539-A | Coloring composition | 20180327 |
WO-2019173836-A1 | Compounds for coordinating with a metal, compositions containing such compounds, and methods of catalyzing reactions | 20180309 |
CN-112088043-A | Compounds for coordination with metals, compositions containing such compounds and methods of catalyzing reactions | 20180309 |
KR-20200130398-A | Compounds that coordinate with metals, compositions containing such compounds, and methods of catalyzing reactions | 20180309 |
PMID | Publication Date | Title | Journal |
21581972 | 20090123 | 1',3',3'-Trimethyl-2,3-diphenyl-2,3-di-hydro-isoxazole-5(4H)-spiro-2'-indoline | Acta crystallographica. Section E, Structure reports online |
21203147 | 20080709 | 5',6-Dichloro-1',3',3'-trimethyl-spiro-[2H-1-benzopyran-2,2'-indoline] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0814771 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0814771 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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