CAS 6529-53-9 1-(2-Bromoethyl)-4-chlorobenzene (HCID 23029)

Names & identifiers

Preferred name: 1-(2-Bromoethyl)-4-chlorobenzene
IUPAC: 1-(2-bromoethyl)-4-chlorobenzene
English name: 4-Chlorophenethyl bromide 97
Molecular formula: C8H8BrCl
Molecular weight: 219.51

Names & synonyms

1-(2-BROMOETHYL)-4-CHLOROBENZENE6529-53-94-Chlorophenethyl bromideBenzene, 1-(2-bromoethyl)-4-chloro-1-Bromo-2-(4-chlorophenyl)ethanep-Chlorophenethyl bromidep-Chloro-.beta.-phenethyl bromide2-(p-Chlorophenyl)ethyl bromideDTXSID80215635RefChem:74080p-Chloro-beta-phenethyl bromideDTXCID10138126

Show more names

4-chlorophenethylebromide4-Chlorophenethyl broMide 97%4-Chlorophenethyl bromide 974-Chlorophenethyl bromide, 95%,

613-774-5YAFMYKFAUNCQPU-UHFFFAOYSA-N2-(4-chlorophenyl)ethylbromideMFCD006342712-(4-chlorophenyl)ethyl bromideSCHEMBL3141674-Chlorophenethyl bromide, 97%2-(4'-chlorophenyl)ethyl bromide

Database identifiers

CAS: 6529-53-9
PubChem CID: 23029
DTXSID: DTXSID80215635
EC Number: 613-774-5
Nikkaji: J105.413I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Physicochemical properties

Boiling point: 76 · 76-78 °C0.3 mm Hg(lit.)
Density: 1.508 g/mL · 1.5080 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5715(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
color: Colorless to yellow
InChI: 1S/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey: YAFMYKFAUNCQPU-UHFFFAOYSA-N
SMILES: Clc1ccc(CCBr)cc1
NIST Chemistry Reference: 1 · 1-Bromo-2-(4-chlorophenyl)ethane(6529-53-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,N
Risk Statements: 22 · 22-41-51/53
Safety Statements: 26 · 26-36/37/39-61
RIDADR: 3082 · UN 3082 9 / PGIII
WGK Germany: 2 · 2
HazardClass: 9 · 9
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 3082 9 / PGIII
risk_code: 22-41-51/53
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn,N
safety_code: 26-36/37/39-61
hazard_class: 9
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P301+P312+P330-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Uses4-Chlorophenethyl Bromide is used as a reagent in the synthesis of terfenadine-based analogs as potential antibacterials. 4-Chlorophenethyl Bromide is also used in the preparation of tertiary amine and indole derivatives as potent retinoid-related orphan receptor gamma-t (RORγt) inverse agonists.