3-chloromethyl-5-methylisoxazole - CAS 35166-37-1

Catalog:	BB053532
Product Name:	3-chloromethyl-5-methylisoxazole
CAS:	35166-37-1
Synonyms:	3-Chloromethyl-5-methylisoxazole; 3-chloromethyl-5-methyl-isoxazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(chloromethyl)-5-methyl-1,2-oxazole
Molecular Weight:	131.56
Molecular Formula:	C5H6ClNO
Canonical SMILES:	CC1=CC(=NO1)CCl
InChI:	InChI=1S/C5H6ClNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChI Key:	FEXTXBAFBURKGS-UHFFFAOYSA-N
Boiling Point:	215.1±25.0 °C at 760 mmHg
Purity:	95%
Density:	1.2±0.1 g/cm3
Appearance:	Brown Liquid

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Related Functional Groups

Halides

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Oxazole/Thiazole

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[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
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GHS Hazard Statement:	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.0137915
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2