1-(2-Bromoethoxy)-4-chlorobenzene

HCID 74854

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Basic information

CAS: 2033-76-3
Standard SMILES: Clc1ccc(OCCBr)cc1
InChIKey: YYFLBDSMQRWARK-UHFFFAOYSA-N
Molecular formula: C8H8BrClO
Average molar mass: 235.5 g/mol
Monoisotopic mass: 233.94470466

Names & identifiers

Preferred name: 1-(2-Bromoethoxy)-4-chlorobenzene
IUPAC: 1-(2-bromoethoxy)-4-chlorobenzene
English name: 1-(2-BROMOETHOXY)-4-CHLOROBENZENE
Molecular formula: C8H8BrClO
Molecular weight: 235.51

Names & synonyms

1-(2-Bromoethoxy)-4-chlorobenzene2033-76-3Benzene, 1-(2-bromoethoxy)-4-chloro-DTXSID20174237EINECS 217-994-9AI3-02510NSC 404198RefChem:74073DTXCID0096728217-994-92-bromoethyl 4-chlorophenyl etherMFCD00000617

Show more names

AKOS BC-2658ASISCHEM Z95338AKOS BBS-000040834-Chlorophenoxyethylbromidebeta-Bromo-p-chlorophenetolebeta-Bromo-4-chlorophenetole4-CHLOROPHENYL 2-BROMOETHYL ETHER4-(2-Bromoethoxy)-1-chlorobenzene

2-(4-chlorophenoxy)ethyl bromide4-Chlorophenoxyethyl bromideSCHEMBL6890194-chlorphenyl 2-bromoethyl ether2-(p-Chlorophenoxy)ethyl bromide1-Bromo-2-(4-chlorophenoxy)ethane1-(2-Bromoethoxy)-4-chloro-benzeneNSC-404198

Database identifiers

CAS: 2033-76-3
PubChem CID: 74854
DTXSID: DTXSID20174237
UNII: CL9TNF9G7X
EC Number: 217-994-9
Nikkaji: J265.469E

Properties

Computed structural properties

XLogP: 3.3
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: 102

Physicochemical properties

Melting point: 40 · 40-42 °C (lit.)
Boiling point: 165 · 165-170 °C/22 mmHg (lit.)
Density: 1.5137 · 1.5137 (rough estimate)
refractive index: 1.5685 · 1.5685 (589.3 nm 20℃)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Liquid or Low Melting Solid
color: Clear
InChI: 1S/C8H8BrClO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey: YYFLBDSMQRWARK-UHFFFAOYSA-N
SMILES: Clc1ccc(OCCBr)cc1
CAS DataBase Reference: 2033 · 2033-76-3
FDA UNII: 9 TNF9G7X · CL9TNF9G7X
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/22
Safety Statements: 36 · 36/37/39-26-24/25
WGK Germany: 3 · 3
HS Code: 29093090 · 29093090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29093090
risk_code: 36/37/38-20/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37/39-26-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362