Product Number: 4068784
CAS Registry Number: 4068-78-4
Name:
Benzoic acid, 5-chloro-2-hydroxy-, methyl ester
Salicylic acid, 5-chloro-, methyl ester (6CI,7CI,8CI); 2-Hydroxy-5-chlorobenzoic acid methyl ester; 5-Chloro-2-hydroxybenzoic acid methyl ester; 5-Chlorosalicylic acid methyl ester; Methyl 2-hydroxy-5-chlorobenzoate; Methyl 5-chloro-2-hydroxybenzoate; Methyl 5-chlorosalicylate; NSC 85495
Chemical Formula: C8H7ClO3
Exact Mass: 186.01
Molecular Weight: 186.59
m/z: 186.01 (100.0%), 188.01 (32.6%), 187.01 (8.8%), 189.01 (2.8%)
InChI: InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChIKey: KJWHRMZKJXOWFC-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)Cl)O
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
50 °C |
|
(8)SRC |
| Melting Point |
48 °C |
|
(9)CAS |
| Melting Point |
45-48 °C |
|
(10)IC |
| Melting Point |
44-46 °C |
|
(6)IC |
| Melting Point |
43-50 °C |
Solv: ethanol (64-17-5); water (7732-18-5) |
(11)CAS |
| Melting Point |
See full text |
|
(5)CAS |
|
- (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
- (2) Snider, Barry B.; Journal of Organic Chemistry 1989, V54(1), P38-46 CAPLUS
- (3) Bovonsombat, Pakorn; Tetrahedron 2010, V66(34), P6928-6935 CAPLUS
- (4) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
- (5) Okuda, Kensuke; Chemical & Pharmaceutical Bulletin 2010, V58(3), P363-368 CAPLUS
- (6) Lednicer, Daniel; EP 234872 A1 1987 CAPLUS
- (7) Salter, W. Bruce; ACS Applied Materials & Interfaces 2011, V3(11), P4262-4267 CAPLUS
- (8) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (9) Duda, H.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 1965, V13(5), P341-7 CAPLUS
- (10) Simonov, V. D.; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation) 1981, V54(4), P930-2 CAPLUS
- (11) Klosa, Josef; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1956, V289, P143-50 CAPLUS
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