3-Chloro-1,2-benzisoxazole - CAS 16263-52-8
Catalog: |
BB076948 |
Product Name: |
3-Chloro-1,2-benzisoxazole |
CAS: |
16263-52-8 |
Synonyms: |
3-Chlorobenzo[d]isoxazole; 3-Chloranyl-1,2-benzoxazole; 3-Chlorobenzisoxazole; 1,2-Benzisoxazole, 3-chloro- |
IUPAC Name: | 3-chloro-1,2-benzoxazole |
Molecular Weight: | 153.57 |
Molecular Formula: | C7H4ClNO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NO2)Cl |
InChI: | InChI=1S/C7H4ClNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H |
InChI Key: | INWUFXPCLZRSBH-UHFFFAOYSA-N |
Boiling Point: | 251.2±13.0°C (Predicted) |
Melting Point: | 31°C |
Purity: | ≥95% |
Density: | 1.377±0.06 g/cm3 (Predicted) |
Storage: | Store at 2-8°C under inert gas (nitrogen or argon) |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.9981414 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.9981414 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Related Functional Groups
Benzoxazole/Benzothiazole
Halides
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