Methyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate - CAS 1177292-31-7
Catalog: |
BB053558 |
Product Name: |
Methyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate |
CAS: |
1177292-31-7 |
Synonyms: |
methyl4-(chloromethyl)-5-methylisoxazole-3-carboxylate; 1177292-31-7; METHYL4-(CHLOROMETHYL)-5-METHYL-3-ISOXAZOLECARBOXYLATE; methyl4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate; Ambcb4040172; SCHEMBL14677476 |
IUPAC Name: | methyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate |
Molecular Weight: | 189.59 |
Molecular Formula: | C7H8ClNO3 |
Canonical SMILES: | CC1=C(C(=NO1)C(=O)OC)CCl |
InChI: | InChI=1S/C7H8ClNO3/c1-4-5(3-8)6(9-12-4)7(10)11-2/h3H2,1-2H3 |
InChI Key: | QEMGAHVFVGNBDY-UHFFFAOYSA-N |
Boiling Point: | 330.5±42.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.3±0.1 g/cm3 |
Appearance: | Clear Viscous Liquid |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0192708 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0192708 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Related Functional Groups
Carbonyl Compounds
Halides
Oxazole/Thiazole
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