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Ethyl 5-iodo-2-methylbenzoate structure

Ethyl 5-iodo-2-methylbenzoate
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1. Names and Identifiers
1.1 Name
Ethyl 5-iodo-2-methylbenzoate
1.2 Synonyms
5-iodo-2-methylBenzoic acid ethyl ester; Benzoic acid, 5-iodo-2-methyl-, ethyl ester; Ethyl 5-iodo-2-methylbenzoate;
1.3 CAS No.
612833-45-1
1.4 CID
44829046
1.5 Molecular Formula
C10H11IO2
1.6 Inchi
InChI=1S/C10H11IO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
1.7 InChkey
KIXOYKIVPNXTDY-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(=O)C1=C(C=CC(=C1)I)C
1.9 Isomers Smiles
CCOC(=O)C1=C(C=CC(=C1)I)C
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
3. Synthesis Route
612833-45-1Total: 3 Synthesis Route
 
7335-32-2
7335-32-2
 
612833-45-1
612833-45-1 5 Suppliers
 
79669-49-1
79669-49-1 148 Suppliers
 
612833-45-1
612833-45-1 5 Suppliers
4. Precursor and Product
precursor:
7335-32-2
7335-32-2
79669-49-1
79669-49-1
359629-91-7
359629-91-7
5. Computed Properties
  • Molecular Weight：290.1g/mol
  • Molecular Formula：C10H11IO2
  • Compound Is Canonicalized：True
  • Exact Mass：3.2
  • XLogP3-AA：289.98038
  • Monoisotopic Mass：289.98038
  • Complexity：182
  • Rotatable Bond Count：3
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：2
  • Topological Polar Surface Area：26.3
  • Heavy Atom Count：：13
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADccBwMAAAAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAgAAAADACimAIyCIAABACIAiDSCAACAAAkAAAIiAEACMgIJjKANRiCMQAkwAEIqYeIyKCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==
6. Toltal 5 Suppliers View more
Ethyl5-iodo-2-methylbenzoate
Atomax Chemicals Co.,Ltd
  China
Tel: Update Time:2019/07/29
inquire
ETHYL 5-IODO-2-METHYLBENZOATE
shijiazhuang guizheng trade co.,ltd
  China
Tel: Update Time:2018/12/13
inquire
ethyl 5-iodo-2-Methylbenzoate
Nanjing Chemlin Chemical Co., Ltd.
  China
Tel: Update Time:2024/03/04
inquire
ethyl 5-iodo-2-Methylbenzoate
Nanjing Chemlin Chemical Co., Ltd
China
Tel: Update Time:2019/11/26
inquire
Ethyl 5-iodo-2-methylbenzoate
Wychem Ltd.
United Kingdom
Tel: Update Time:2019/11/25
inquire
7. Realated Product Infomation
 
1. Names and Identifiers
2. Msds
3. Synthesis Route
4. Precursor and Product
5. Computational chemical data
6. Toltal 5 Suppliers
7. Realated Product Infomation
 
 
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