[3-(Bromomethyl)oxetan-3-yl]methanol

HCID 529264

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22633-44-9
Standard SMILES: OCC1(CBr)COC1
InChIKey: SESXZSLSTRITGO-UHFFFAOYSA-N
Molecular formula: C5H9BrO2
Average molar mass: 181.03 g/mol
Monoisotopic mass: 179.97859163

Names & identifiers

Preferred name: [3-(Bromomethyl)oxetan-3-yl]methanol
IUPAC: [3-(bromomethyl)oxetan-3-yl]methanol
English name: 3-Bromomethyl-3-oxetanemethanol
Molecular formula: C5H9BrO2
Molecular weight: 181.03

Names & synonyms

(3-(bromomethyl)oxetan-3-yl)methanol[3-(bromomethyl)oxetan-3-yl]methanolRefChem:399632806-632-022633-44-93-Bromomethyl-3-oxetanemethanolMFCD098005983-BROMOMETHYL-3-HYDROXYMETHYLOXETANE3-(Bromomethyl)-3-(hydroxymethyl)oxetane3-(Bromomethyl)-3-oxetanemethanol3-Oxetanemethanol,3-(bromomethyl)-Oxetane, 3-bromomethyl-3-hydroxymethyl

Show more names

3-BroMoMethyl-3-(hydroxyM...3-Bromomethyl-3-oxetanemethanol,95%3-bromomethyl-3-hydroxymethyl-1-oxacyclobutane(3-(Bromomethyl)oxetan-3-yl)methanol - [B5888]2-(Bromomethyl)-2-(hydroxymethyl)-1,3-epoxypropane

SCHEMBL231498[3-(Bromomethyl)3-oxetanyl]methanol3-bromomethyl-3-hydroxymethyl oxetane3-bromomethyl-3-hydroxymethyl-oxetane3-OXETANEMETHANOL, 3-(BROMOMETHYL)-3-(Bromometh[3-(Bromomethyl)-3-oxetanyl]methanol3-Bromomethyl-3-(hydroxymethyl)oxetane

Database identifiers

CAS: 22633-44-9
PubChem CID: 529264
DTXSID: DTXSID50945295
EC Number: 806-632-0
Nikkaji: J2.143.691G

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 80.5

Physicochemical properties

Boiling point: 242 ℃ · 242℃
Density: 1.598 · 1.598
refractive index: 1.513 to · 1.5130 to 1.5170
Flash point: 100 ° · 100°(212°F)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
pka: 14.58 · 14.58±0.10(Predicted)
color: Colorless to Light yellow
CAS DataBase Reference: 22633 · 22633-44-9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 23 · 23-26-37-60
RIDADR: 3265 · UN3265
TSCA: No
HS Code: 2932209090 · 2932209090

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+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.