2-(4-Bromo-1H-pyrazol-1-yl)ethanol

HCID 16640642

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Basic information

CAS: 214614-81-0
Standard SMILES: OCCn1cc(Br)cn1
InChIKey: REUWXYIZJBMWPB-UHFFFAOYSA-N
Molecular formula: C5H7BrN2O
Average molar mass: 191.03 g/mol
Monoisotopic mass: 189.97418

Names & identifiers

Preferred name: 2-(4-Bromo-1H-pyrazol-1-yl)ethanol
IUPAC: 2-(4-bromopyrazol-1-yl)ethanol
English name: 2-(4-BROMO-1H-PYRAZOL-1-YL)ETHANOL
Molecular formula: C5H7BrN2O
Molecular weight: 191.03

Names & synonyms

2-(4-bromo-1H-pyrazol-1-yl)ethanolRefChem:456880835-124-1214614-81-02-(4-Bromopyrazol-1-yl)ethanol4-Bromo-1-(2-hydroxyethyl)pyrazole2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol1H-Pyrazole-1-ethanol, 4-bromo-MFCD068049292-(4-bromo-pyrazol-1-yl)-ethanolSCHEMBL3039782-(4-bromopyrazolyl)ethan-1-ol

Show more names

AKOS B024012AKOS PAO-0968ART-CHEM-BB B0240124-bromo-1H-Pyrazole-1-ethanol1-(2-hydroxyethyl)-4-bromopyazole

UU1DTXSID20586331REUWXYIZJBMWPB-UHFFFAOYSA-NALBB-003673CS-D12571-(2-Hydroxyethyl)-4-bromopyrazoleSBB014946STK350079

Database identifiers

CAS: 214614-81-0
PubChem CID: 16640642
DTXSID: DTXSID20586331
EC Number: 835-124-1

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 91

Physicochemical properties

Boiling point: 299.2 · 299.2±20.0 °C(Predicted)
Density: 1.74 · 1.74±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.3 · 14.30±0.10(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H227-H290
Precautionary statements: 501 · P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2933199090
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H314-H227-H290
Precautionary statements: P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405

Chemistry & industry

Applications

Uses2-(4-Bromo-1H-pyrazol-1-yl)ethanol, can be used in the synthesis of more complex pharmaceutical compounds, such as 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol (T302675).