4-(Chloromethyl)-2-Phenyloxazole - CAS 30494-97-4
Catalog: |
BB053788 |
Product Name: |
4-(Chloromethyl)-2-Phenyloxazole |
CAS: |
30494-97-4 |
Synonyms: |
4-(CHLOROMETHYL)-2-PHENYL-1,3-OXAZOLE; 4-Chloromethyl-2-phenyl-oxazole; Chloromethyl-2-phenyl-oxazole |
IUPAC Name: | 4-(chloromethyl)-2-phenyl-1,3-oxazole |
Molecular Weight: | 193.63 |
Molecular Formula: | C10H8ClNO |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC(=CO2)CCl |
InChI: | InChI=1S/C10H8ClNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2 |
InChI Key: | ANSKJZIDWXDAJW-UHFFFAOYSA-N |
Boiling Point: | 322.6±34.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Brown Low-melting Solid |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0294416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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