3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole

HCID 302157

Notes Reactions

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Basic information

CAS: 1192-80-9
Standard SMILES: Cc1nc(CCl)no1
InChIKey: ZFYVXZGJPJTIPQ-UHFFFAOYSA-N
Molecular formula: C4H5ClN2O
Average molar mass: 132.55 g/mol
Monoisotopic mass: 132.00904046

Names & identifiers

Preferred name: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
IUPAC: 3-(chloromethyl)-5-methyl-1,2,4-oxadiazole
English name: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
Molecular formula: C4H5ClN2O
Molecular weight: 132.55

Names & synonyms

3-(chloromethyl)-5-methyl-1,2,4-oxadiazoleDTXSID10306989RefChem:494654DTXCID10258116692-261-81192-80-93-Chloromethyl-5-methyl-[1,2,4]oxadiazole1,2,4-OXADIAZOLE, 3-(CHLOROMETHYL)-5-METHYL-MFCD01809083NSC1848243-chloromethyl-5-methyl-1,2,4-oxadiazoleSCHEMBL1170174

Show more names

3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole 98%3-(chloromethyl)-5-methyl-1,2,4-oxadiazole(SALTDATA: FREE)

ZFYVXZGJPJTIPQ-UHFFFAZFYVXZGJPJTIPQ-UHFFFAOYSA-NALBB-018592SBB014359STK787108AKOS001200892AB09935NSC-184824

Database identifiers

CAS: 1192-80-9
PubChem CID: 302157
DTXSID: DTXSID10306989
EC Number: 692-261-8
Nikkaji: J774.286J

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 80.4

Physicochemical properties

Boiling point: 76 · 76-77 °C(Press: 15 Torr)
Density: 1.291 · 1.291±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: -1.1 · -1.10±0.32(Predicted)
form: liquid
color: Colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.