6-Bromo-2-(chloromethyl)benzoxazole - CAS 944903-23-5
Catalog: |
BB041373 |
Product Name: |
6-Bromo-2-(chloromethyl)benzoxazole |
CAS: |
944903-23-5 |
Synonyms: |
6-bromo-2-(chloromethyl)-1,3-benzoxazole; 6-bromo-2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 6-bromo-2-(chloromethyl)-1,3-benzoxazole |
Description: | 6-Bromo-2-(chloromethyl)benzoxazole (CAS# 944903-23-5) is a useful research chemical. |
Molecular Weight: | 246.49 |
Molecular Formula: | C8H5BrClNO |
Canonical SMILES: | C1=CC2=C(C=C1Br)OC(=N2)CCl |
InChI: | InChI=1S/C8H5BrClNO/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4H2 |
InChI Key: | RLVYPVDIOCNSDL-UHFFFAOYSA-N |
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: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9243 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9243 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Benzoxazole/Benzothiazole
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