4-bromo-5-(methoxymethyl)-1-methyl-1H-pyrazole

HCID 89995604CAS 1578484-60-2
Substructure searchFind similar structures

Basic information

Standard SMILES
COCc1c(Br)cnn1C
InChIKey
DKVGWJPGRFFHAX-UHFFFAOYSA-N
Molecular formula
C6H9BrN2O
Average molar mass
205.05 g/mol

Names & identifiers

Preferred name
4-bromo-5-(methoxymethyl)-1-methyl-1H-pyrazole
IUPAC
4-bromo-5-(methoxymethyl)-1-methylpyrazole

Names & synonyms

4-Bromo-5-(methoxymethyl)-1-methyl-1H-pyrazole1578484-60-2RefChem:520068837-504-2MFCD299111194-bromo-5-(methoxymethyl)-1-methylpyrazoleSCHEMBL15507201DKVGWJPGRFFHAX-UHFFFAOYSA-NDNC48460AKOS030251740SY570178DB-167408
Show more names
4-bromo-5-(methoxymethyl)-1-methyl-pyrazoleG50235EN300-1662329

Database identifiers

CAS
1578484-60-2
PubChem CID
89995604
EC Number
837-504-2

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
27.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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%)

Related reactions

1 records
New reaction record

Linked notes

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