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Pharmaceutical Intermediates
6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE
CAS:
80099-98-5
MW:
176.00012
MF:
C6H3Cl2NO
 
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Names and ldentifier
Properties
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE
1.2 Synonyms
2-Chloro-6-pyridinecarbonyl chloride; 2-Pyridinecarbonyl chloride, 6-chloro-; 2-Pyridinecarbonyl chloride, 6-chloro- (9CI); 6-Chloro-2-pyridinecarbonyl chloride; 6-Chloropicolinic acid chloride; 6-chloropicolinoyl chloride; 6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE;
1.3 CAS No.
80099-98-5
1.4 CID
10942976
1.5 Molecular Formula
C6H3Cl2NO
1.6 Inchi
InChI=1S/C6H3Cl2NO/c7-5-3-1-2-4(9-5)6(8)10/h1-3H
1.7 InChkey
INDXGKMKACLIJS-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=NC(=C1)Cl)C(=O)Cl
1.9 Isomers Smiles
C1=CC(=NC(=C1)Cl)C(=O)Cl
2. Properties
2.1 Solubility
微溶 (1.9 g/L) (25 oC),
2.2 pKa
-2.22±0.10(Predicted)
3. Synthesis Route
80099-98-5
Total: 3 Synthesis Route
4684-94-0
216 Suppliers
80099-98-5
9 Suppliers
5140-72-7
94 Suppliers
80099-98-5
9 Suppliers
4. Precursor and Product
precursor:
19621-92-2
4684-94-0
5140-72-7
product:
98142-19-9
1280786-59-5
6636-55-1
5. Computed Properties
Molecular Weight:
176.00012g/mol
Molecular Formula:
C
6
H
3
Cl
2
NO
Compound Is Canonicalized:
True
Exact Mass:
2.7
XLogP3-AA:
174.9591691
Monoisotopic Mass:
174.9591691
Complexity:
140
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
30
Heavy Atom Count::
10
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:
AAADcQBiIAAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgIAAAAACAqBliAwgJIIEACoAWR6RACCgCAnByAImCGwZtgIIPLBl7HEIQhggADIyYcYCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 8 Suppliers
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Nanjing Chemlin Chemical Co., Ltd.
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Update Time:
2024/03/04
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shanghai hekang chemical co.ltd
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Update Time:
2019/02/23
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Quzhou Rundong Chemical (Technology) Co.
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Update Time:
2019/11/25
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Atlantic Research Chemicals Ltd.
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Update Time:
2019/11/25
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APAC Pharmaceutical, LLC
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Update Time:
2019/11/25
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7. Realated Product Infomation
4-Chloro-pyridine-2-carbonyl chloride
cas:53750-66-6
Pyridine-2-carbonyl chloride hydrochloride
cas:39901-94-5
4-CHLORO-1,3-DIMETHYLPYRAZOLO[3,4-B]PYRIDINE-5-CARBONYL CHLORIDE
cas:175201-95-3
PYRAZOLO[1,5-A]PYRIDINE-3-CARBONYL CHLORIDE
cas:78933-24-1
2-(PROPYLTHIO)PYRIDINE-3-CARBONYL CHLORIDE
cas:175135-24-7
6-(Trifluoromethyl)pyridine-2-carbonyl chloride
cas:1099597-77-9
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 Solubility
2.2 pKa
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Toltal 8 Suppliers
7.
Realated Product Infomation
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