Isoxazolidine hydrochloride

HCID 12304500

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Basic information

CAS: 39657-45-9
Standard SMILES: C1CNOC1.Cl
InChIKey: HPIVVOQIZYNVJE-UHFFFAOYSA-N
Molecular formula: C3H8ClNO
Average molar mass: 109.55 g/mol
Monoisotopic mass: 109.02944156

Names & identifiers

Preferred name: Isoxazolidine hydrochloride
IUPAC: 1,2-oxazolidine;hydrochloride
English name: Isoxazolidine hydrochloride
Molecular formula: C3H7NO.ClH
Molecular weight: 109.555

Names & synonyms

ISOXAZOLIDINE HYDROCHLORIDE39657-45-9DTXSID30486712RefChem:350264DTXCID30437522800-538-31,2-oxazolidine;hydrochlorideisoxazolidine;hydrochloride1,2-oxazolidine hydrochlorideMFCD11100465isoxazolidine hcl1,2-oxazolidin-2-ium;chloride

Show more names

hydrochloride - [K86659]isoazolealkanehydrochlorideIsoxazolidine, hydrochloride (1:1)

ISOXAZOLIDINE HYDROCHLORIDE, 39657-45-9, SureCN693656, Isoxazolidine, hydrochloride, Ambcb4013261, CTK1B3786, AKOS015848331, AG-L-23184, MCULE-6084499894, AM803837, FT-0677691, I14-28060isoxazolidine hydrochorideisooxazolidine hydrochlorideisoxazolidin-2-ium;chlorideSCHEMBL693656ISOXAZOLIDINEHYDROCHLORIDEHPIVVOQIZYNVJE-UHFFFAOYSA-NPBA65745

Database identifiers

CAS: 39657-45-9
PubChem CID: 12304500
DTXSID: DTXSID30486712
EC Number: 800-538-3

Properties

Computed structural properties

Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 30.1

Physicochemical properties

Melting point: 125 to · 125.0 to 129.0 °C
storage temp.: Inert atmosphere,Room Temperature
Water Solubility: Soluble in water
form: powder to crystal
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362