1-(2-Bromoethoxy)-4-methylbenzene

HCID 95667CAS 18800-34-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(OCCBr)cc1
InChIKey: VCYNKCKSPFGUSA-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol
Monoisotopic mass: 213.99932707

Names & identifiers

Preferred name: 1-(2-Bromoethoxy)-4-methylbenzene
IUPAC: 1-(2-bromoethoxy)-4-methylbenzene
English name: 1-(2-BROMOETHOXY)-4-METHYLBENZENE
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

1-(2-bromoethoxy)-4-methylbenzene18800-34-5RefChem:421617882-024-91-(2-Bromo-ethoxy)-4-methyl-benzeneBenzene, 1-(2-bromoethoxy)-4-methyl-MFCD000828524-(2-Bromoethoxy)toluene2-bromo-1-(4-methylphenoxy)ethaneNSC28592p-KresolbromathylatherSCHEMBL2414381

Show more names

AKOS BC-2650ASISCHEM Z95333B-BROMO-P-METHYLPHENETOLE4-Methylphenoxyethylbromide1-(2-Bromoethoxy)-4-methylbenzene,98%1-(2-BroMoethoxy)-4-Methylbenzene, 98% 5GR

SCHEMBL7362924DTXSID701721422-(4-methylphenoxy)ethyl bromide2-bromoethyl 4-methylphenyl etherVCYNKCKSPFGUSA-UHFFFAOYSA-NTAA80034NSC 28592NSC-28592

Database identifiers

CAS: 18800-34-5
PubChem CID: 95667
DTXSID: DTXSID70172142
EC Number: 882-024-9

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Physicochemical properties

Melting point: 37 · 37-38 °C
Boiling point: 107 · 107-108 °C (8 mmHg)
Density: 1.349 · 1.349±0.06 g/cm3(Predicted)
Flash point: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
CAS DataBase Reference: 18800 · 18800-34-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/22
Safety Statements: 37 · 37/39-26
HazardClass: IRRITANT
HS Code: 29093038 · 29093038

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 29093038
risk_code: 36/37/38-20/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 37/39-26
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501