Benzene, ((2-bromoethoxy)methyl)-

HCID 73833

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Basic information

CAS: 1462-37-9
Standard SMILES: BrCCOCc1ccccc1
InChIKey: FWOHDAGPWDEWIB-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol
Monoisotopic mass: 213.99932707

Names & identifiers

Preferred name: Benzene, ((2-bromoethoxy)methyl)-
IUPAC: 2-bromoethoxymethylbenzene
English name: Benzyl 2-bromoethyl ether
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

1462-37-9((2-Bromoethoxy)methyl)benzene[(2-Bromoethoxy)methyl]benzene2-Benzyloxy-1-bromoethaneBENZENE, [(2-BROMOETHOXY)METHYL]-Benzene, ((2-bromoethoxy)methyl)-DTXSID30163298RefChem:562044DTXCID6085789629-202-2Benzyl 2-bromoethyl ether2-bromoethoxymethylbenzene

Show more names

UMECLIDIUM intermediate2-Bromoethylbenzyl ether2- benzyloxy bromoethaneBenzyl 2-bromoethyl ethe1-BENZYLOXY-2-BROMOETHANEbromoethyl-2-benzyl ether

(2-Bromoethoxymethyl)benzeneMFCD01321307Benzyloxyethyl Bromide[(2-Bromoethyloxy)methyl]benzene1-bromo-2-benzyloxyethane1-((2-bromoethoxy)methyl)benzene1-[(2-bromoethoxy)methyl]benzeneBenzyl2-bromoethylether

Database identifiers

CAS: 1462-37-9
PubChem CID: 73833
DTXSID: DTXSID30163298
UNII: P99PG4EM6M
EC Number: 629-202-2
Nikkaji: J105.287J

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 89.6

Physicochemical properties

Boiling point: 254 °C · 254 °C(lit.)
Density: 1.36 g/mL · 1.36 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.541(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: liquid
color: colorless to yellow
Water Solubility: Slightly soluble in water
InChI: InChI=1S/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey: FWOHDAGPWDEWIB-UHFFFAOYSA-N
SMILES: C1(COCCBr)=CC=CC=C1
CAS DataBase Reference: 1462 · 1462-37-9
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 24 · 24/25
RIDADR: 3334 · UN 3334
WGK Germany: 3 · 3
TSCA: No
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (94%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: No
ridadr: UN 3334
hs_code: 29093090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Applications · 3 items

UsesBenzyl 2-broMoethyl ether is a reactant used in the preparation of muscarinic antagonist.

UsesAlkylation reagent for synthesis of a macrocyclic antifungal antibiotic. Building block used to prepare a copper phthalocyanine discotic liquid crystal.

General DescriptionBenzyl 2-bromoethyl ether is an organic building block. Its enthalpy of vaporization at boiling point (527.15K) has been reported to be 46.499kjoule/mol.