2,1,3-Benzoxadiazole-5-carboxylic acid - CAS 19155-88-5
Catalog: |
BB014820 |
Product Name: |
2,1,3-Benzoxadiazole-5-carboxylic acid |
CAS: |
19155-88-5 |
Synonyms: |
2,1,3-benzoxadiazole-5-carboxylic acid |
IUPAC Name: | 2,1,3-benzoxadiazole-5-carboxylic acid |
Description: | 2,1,3-Benzoxadiazole-5-carboxylic acid (CAS# 19155-88-5) is a useful research chemical. |
Molecular Weight: | 164.12 |
Molecular Formula: | C7H4N2O3 |
Canonical SMILES: | C1=CC2=NON=C2C=C1C(=O)O |
InChI: | InChI=1S/C7H4N2O3/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11) |
InChI Key: | WZUFYJFTOVGJJT-UHFFFAOYSA-N |
Boiling Point: | 360 °C at 760 mmHg |
Melting Point: | 157-160 °C (lit.) |
Purity: | 95 % |
Density: | 1.558 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00276977 |
LogP: | 0.92100 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
CN-111763201-A | Benzothiazole compound and medical application thereof | 20200303 |
CN-112812111-A | Benzothiazole compound and medical application thereof | 20200303 |
WO-2021175234-A1 | Benzothiazole compound and medical use | 20200303 |
US-2021214701-A1 | Modified cleavases, uses thereof and related kits | 20190326 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.02219199 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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