CAS 54149-16-5 2-(2-Bromoethoxy)propane (HCID 3830823)

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Basic information

CAS: 54149-16-5
Standard SMILES: CC(C)OCCBr
InChIKey: KYKUZTBLYLKPIT-UHFFFAOYSA-N
Molecular formula: C5H11BrO
Average molar mass: 167.04 g/mol
Monoisotopic mass: 165.99932707

Names & identifiers

Preferred name: 2-(2-Bromoethoxy)propane
IUPAC: 2-(2-bromoethoxy)propane
English name: 2-(2-BROMOETHOXY)PROPANE
Molecular formula: C5H11BrO
Molecular weight: 167.04

Names & synonyms

2-(2-bromoethoxy)propane54149-16-5DTXSID70397030RefChem:250459DTXCID80347889826-143-6MFCD07700570Propane, 2-(2-bromoethoxy)-2-(2-Bromomethoxy)propane2-(2-bromo-ethoxy)-propane1-1-isopropoxy-2-bromoethaneSCHEMBL1990974

Show more names

AKOS000117010CS-W018660AS-19817SY031858EN300-07630AM808791-bromo-2-isopropoxyethaneA870531

Database identifiers

CAS: 54149-16-5
PubChem CID: 3830823
DTXSID: DTXSID70397030
EC Number: 826-143-6

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 37.1

Physicochemical properties

Boiling point: 139.9 · 139.9-140.2 °C(Press: 743 Torr)
Density: 1.2609 g/cm3 · 1.2609 g/cm3
storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H318-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2909199090 · 2909199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)

Safety data

hs_code: 2909199090
Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H318-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362