3-(Chloromethyl)-3-methyloxetane

HCID 79112CAS 822-48-0

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Basic information

Standard SMILES: CC1(CCl)COC1
InChIKey: MCZYEFODKAZWIH-UHFFFAOYSA-N
Molecular formula: C5H9ClO
Average molar mass: 120.58 g/mol
Monoisotopic mass: 120.03419259

Names & identifiers

Preferred name: 3-(Chloromethyl)-3-methyloxetane
IUPAC: 3-(chloromethyl)-3-methyloxetane
English name: 2-(Chloromethyl)-2-methyl-1,3-epoxypropane
Molecular formula: C5H9ClO
Molecular weight: 120.58

Names & synonyms

3-(Chloromethyl)-3-methyloxetaneRefChem:494594679-631-4822-48-02-(Chloromethyl)-2-methyl-1,3-epoxypropaneOxetane, 3-(chloromethyl)-3-methyl-MFCD017095523-Chloromethyl-3-methyloxetane3-Chloromethyl-3-methyloxacyclobutane3-(chloromethyl)-3-methyl-oxetaneBRN 12363762-(Chloromethyl)-1,3-epoxy-2-methylpropane

Show more names

3-(chloromethyl)-3-methyl-oxetan3-(Chloromethyl)-3-methyloxetane >2-(Chloromethyl)-2-methyl-1,3-epoxypropane3-(Chloromethyl)-3-methyloxetane - [C8473]

SCHEMBL282689SCHEMBL15611752DTXSID80231618MCZYEFODKAZWIH-UHFFFAOYSA-N3-METHYL-3-CHLOROMETHYLOXETANEAKOS006378960PB27545AS-50433

Database identifiers

CAS: 822-48-0
PubChem CID: 79112
DTXSID: DTXSID80231618
EC Number: 679-631-4
Nikkaji: J3.360.942F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 68.5

Physicochemical properties

Melting point: 138 °C · 138 °C
Boiling point: 88 °C · 88 °C / 97.5mmHg
Density: 1.1 · 1.10
refractive index: 1.448 · 1.4480-1.4520
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H302
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P403+P235-P501
RIDADR: 1993 · 1993
RTECS: 6828000 · RQ6828000
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

rtecs: RQ6828000
ridadr: 1993
hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_class: 3
packing_group: III
Hazard statements: H226-H302
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P403+P235-P501