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2-Chloro-1-(2,2,4-trimethyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone - ≥95%, high purity , CAS No.14036-98-7
Basic Description
Synonyms | 14036-98-7 | 2-Chloro-1-(2,2,4-trimethyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone | 2-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone | 2-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethanone | 1-(chloroacetyl)-2,2,4-trimethyl-1,2,3,4-tetrahyd |
Specifications & Purity | ≥95% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | 2-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone |
INCHI | InChI=1S/C14H18ClNO/c1-10-8-14(2,3)16(13(17)9-15)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3 |
InChi Key | YPFUVGDVQKAHTE-UHFFFAOYSA-N |
Canonical SMILES | CC1CC(N(C2=CC=CC=C12)C(=O)CCl)(C)C |
Isomeric SMILES | CC1CC(N(C2=CC=CC=C12)C(=O)CCl)(C)C |
PubChem CID | 3144307 |
Molecular Weight | 251.76 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 251.750 g/mol |
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XLogP3 | 3.200 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 1 |
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Rotatable Bond Count | 1 |
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Exact Mass | 251.108 Da |
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Monoisotopic Mass | 251.108 Da |
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Topological Polar Surface Area | 20.300 Ų |
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Heavy Atom Count | 17 |
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Formal Charge | 0 |
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Complexity | 303.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 1 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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