4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole

HCID 572879

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 83467-28-1
Standard SMILES: Cc1n[nH]c(C)c1CCBr
InChIKey: HGGLMDBNLJUEKA-UHFFFAOYSA-N
Molecular formula: C7H11BrN2
Average molar mass: 203.08 g/mol
Monoisotopic mass: 202.01056045

Names & identifiers

Preferred name: 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
IUPAC: 4-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole
English name: 4-(2-Bromo-ethyl)-3,5-dimethyl-1H-pyrazole
Molecular formula: C7H11BrN2
Molecular weight: 203.08

Names & synonyms

4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole83467-28-1DTXSID10341411RefChem:287110DTXCID90292492695-914-54-(2-Bromo-ethyl)-3,5-dimethyl-1H-pyrazole3,5-Dimethyl-4-(2-bromoethyl)-1H-pyrazole4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazolMFCD004809874-(2-bromoethyl)-3,5-dimethylpyrazole1H-Pyrazole, 4-(2-bromoethyl)-3,5-dimethyl-

Show more names

AKOS PAO-0750TIMTEC-BB SBB0101555-DiMethyl-4-(2-broMoethyl)-1H-pyrazole4-(2-Bromoethyl)-3,5-dimethyl-4H-pyrazole3,5-DIMETHYL-4'-(2-BROMOETHYL)-1H-PYRAZOLE4-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole(SALTDATA: FREE)

SCHEMBL1660409SBB010155STL069455AKOS000365664AS-11305BP-111884-(Bromoethyl)-3,5-dimethyl-1H-pyrazoleDB-075934

Database identifiers

CAS: 83467-28-1
PubChem CID: 572879
DTXSID: DTXSID10341411
EC Number: 695-914-5
Nikkaji: J3.594.767A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 127 · 127-128 °C
Boiling point: 308.4 · 308.4±37.0 °C(Predicted)
Density: 1.455 · 1.455±0.06 g/cm3(Predicted)
pka: 15.33 · 15.33±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.