2-(2-Bromoethoxy)-1,3-dimethylbenzene

HCID 2452208

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Basic information

CAS: 37136-92-8
Standard SMILES: Cc1cccc(C)c1OCCBr
InChIKey: MSKAVXYLXIUCJP-UHFFFAOYSA-N
Molecular formula: C10H13BrO
Average molar mass: 229.11 g/mol
Monoisotopic mass: 228.01497714

Names & identifiers

Preferred name: 2-(2-Bromoethoxy)-1,3-dimethylbenzene
IUPAC: 2-(2-bromoethoxy)-1,3-dimethylbenzene
English name: 2-(2-Bromoethoxy)-1,3-dimethylbenzene
Molecular formula: C10H13BrO
Molecular weight: 229.11

Names & synonyms

2-(2-bromoethoxy)-1,3-dimethylbenzene37136-92-8RefChem:453427824-624-52-(2-Bromo-ethoxy)-1,3-dimethyl-benzeneBenzene,2-(2-bromoethoxy)-1,3-dimethyl-MFCD020308161-(2,6-dimethylphenoxy)-2-bromoethaneSCHEMBL64093DTXSID30368721MSKAVXYLXIUCJP-UHFFFAOYSA-N(2,6-dimethylphenoxyethyl) bromide

Show more names

MBA13692SBB085303AKOS0001997432-(2',6'-dimethylphenoxy)ethyl bromide2-(2,6-dimethylphenoxy)-1-bromo-ethane2-(2-bromoethoxy)-1,3-dimethyl-benzeneDA-286722-(2,6-Dimethyl-phenoxy)-1-bromo-ethane

Database identifiers

CAS: 37136-92-8
PubChem CID: 2452208
DTXSID: DTXSID30368721
EC Number: 824-624-5

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 117

Physicochemical properties

Boiling point: 123 °C · 123 °C(Press: 10 Torr)
Density: 1.304 · 1.304±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 305 · P305+P351+P338-P280
HazardClass: IRRITANT

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.