2-Chlorothiazole-5-carbaldehyde - CAS 95453-58-0
Catalog: |
BB041728 |
Product Name: |
2-Chlorothiazole-5-carbaldehyde |
CAS: |
95453-58-0 |
Synonyms: |
2-chloro-5-thiazolecarboxaldehyde; 2-chloro-1,3-thiazole-5-carbaldehyde |
IUPAC Name: | 2-chloro-1,3-thiazole-5-carbaldehyde |
Description: | 2-Chlorothiazole-5-carbaldehyde (CAS# 95453-58-0) is a useful research chemical. |
Molecular Weight: | 147.58 |
Molecular Formula: | C4H2ClNOS |
Canonical SMILES: | C1=C(SC(=N1)Cl)C=O |
InChI: | InChI=1S/C4H2ClNOS/c5-4-6-1-3(2-7)8-4/h1-2H |
InChI Key: | PKCBQQXHFIDIIG-UHFFFAOYSA-N |
Boiling Point: | 278.6 °C at 760 mmHg |
Density: | 1.541 g/cm3 |
MDL: | MFCD01568717 |
LogP: | 1.60900 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112684070-A | Method for measuring semi-volatile organic compounds in solid waste | 20201224 |
CN-111978314-A | Preparation method of secondary amine compound containing thiazole ring | 20200827 |
WO-2021094504-A1 | Herbicidal thiazole compounds | 20191115 |
CN-109678814-A | A method of preparing the chloro- 1,3- thiazole -5- formaldehyde of 2- | 20181228 |
CN-109678814-B | Method for preparing 2-chloro-1, 3-thiazole-5-formaldehyde | 20181228 |
PMID | Publication Date | Title | Journal |
21476569 | 20110511 | Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition | Journal of agricultural and food chemistry |
Complexity: | 100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.9545626 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.9545626 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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