CAS 120003-15-8 5-(Chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole (HCID 25219243)

Substructure search Find similar structures

Basic information

CAS: 120003-15-8
Standard SMILES: COCc1noc(CCl)n1
InChIKey: VLXVPDOWMACDNZ-UHFFFAOYSA-N
Molecular formula: C5H7ClN2O2
Average molar mass: 162.57 g/mol
Monoisotopic mass: 162.01960514

Names & identifiers

Preferred name: 5-(Chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
IUPAC: 5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
English name: CHEMBRDG-BB 4017866
Molecular formula: C5H7ClN2O2
Molecular weight: 162.57

Names & synonyms

5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole120003-15-8DTXSID40649210RefChem:300357DTXCID60599960969-461-1MFCD086916441,2,4-Oxadiazole, 5-(chloromethyl)-3-(methoxymethyl)-1,2,4-Oxadiazole,5-(chloromethyl)-3-(methoxymethyl)-SCHEMBL2041457VLXVPDOWMACDNZ-UHFFFAOYSA-NALBB-004224

Show more names

CHEMBRDG-BB 40178665-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole(SALTDATA: FREE)

AKOS005171309LS-01551EN300-126924G19794F309761F8880-5800

Database identifiers

CAS: 120003-15-8
PubChem CID: 25219243
DTXSID: DTXSID40649210
EC Number: 969-461-1

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 48.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Physicochemical properties

Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H335-H314
Precautionary statements: 260 · P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H302-H335-H314
Precautionary statements: P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501