1-Chlorobenzotriazole - CAS 21050-95-3
Catalog: |
BB016564 |
Product Name: |
1-Chlorobenzotriazole |
CAS: |
21050-95-3 |
Synonyms: |
1H-Benzotriazole, 1-chloro-; 1-Chloro-1H-benzotriazole; 1-Chloro-1,2,3-benzotriazole; 1-Chloro-1H-1,2,3-benzotriazole; N-Chlorobenzotriazole; NSC 186037 |
IUPAC Name: | 1-chlorobenzotriazole |
Description: | Oxidation and chlorination reagent. |
Molecular Weight: | 153.57 |
Molecular Formula: | C6H4ClN3 |
Canonical SMILES: | C1=CC=C2C(=C1)N=NN2Cl |
InChI: | InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H |
InChI Key: | INOGLHRUEYDAHX-UHFFFAOYSA-N |
Boiling Point: | 282.0±23.0°C at 760 mmHg |
Melting Point: | 105-106°C |
Purity: | ≥95% |
Density: | 1.51±0.1 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD00054541 |
LogP: | 1.43320 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020190735-A | Photosensitive resin composition, photosensitive resin laminate, resist pattern forming method and conductor pattern manufacturing method | 20200714 |
US-2021324294-A1 | Grease composition for electrical contacts | 20200417 |
WO-2021199542-A1 | Light-sensitive transfer material, method for manufacturing resin pattern, and method for manufacturing circuit wiring | 20200330 |
WO-2021199996-A1 | Photosensitive transfer material, method for manufacturing resin pattern, method for manufacturing circuit wiring, and temporary support body for photosensitive transfer material | 20200330 |
WO-2021192608-A1 | Photosensitive transfer material, method for producing resin pattern, method for producing circuit wiring, and method for producing touch panel | 20200325 |
PMID | Publication Date | Title | Journal |
16872873 | 20070301 | Spectrophotometric and spectrofluorimetric methods for the determination of ramipril in its pure and dosage form | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
17025323 | 20061013 | Inexpensive, one-pot synthesis of unsymmetrical disulfides using 1-chlorobenzotriazole | The Journal of organic chemistry |
15255745 | 20040723 | A novel route to imidoylbenzotriazoles and their application for the synthesis of enaminones | The Journal of organic chemistry |
15058928 | 20040319 | A general and efficient synthesis of sulfonylbenzotriazoles from N-chlorobenzotriazole and sulfinic acid salts | The Journal of organic chemistry |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0093748 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0093748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Related Functional Groups
Benzotriazoles
Oxazole/Thiazole
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