1-(2-Bromoethyl)naphthalene

HCID 139541

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Basic information

CAS: 13686-49-2
Standard SMILES: BrCCc1cccc2ccccc12
InChIKey: GPHCPUFIWQJZOI-UHFFFAOYSA-N
Molecular formula: C12H11Br
Average molar mass: 235.12 g/mol
Monoisotopic mass: 234.00441245

Names & identifiers

Preferred name: 1-(2-Bromoethyl)naphthalene
IUPAC: 1-(2-bromoethyl)naphthalene
English name: 1-(2-BROMOETHYL)NAPHTHALENE
Molecular formula: C12H11Br
Molecular weight: 235.12

Names & synonyms

1-(2-Bromoethyl)naphthalene2-(1-Naphthyl)ethyl bromide2-(alpha-Naphthyl)ethyl bromideDTXSID201599832-(.alpha.-Naphthyl)ethyl bromideRefChem:223244DTXCID2082474624-931-2GPHCPUFIWQJZOI-UHFFFAOYSA-N13686-49-2Naphthalene, 1-(2-bromoethyl)-MFCD00037737

Show more names

TIMTEC-BB SBB0081582-(BROMOETHYL)NAPTHALENE1-(2-Bromoethyl)naphtalene2-(α-Naphthyl)ethyl bromide1-(2-Bromoethyl)naphthalene 97%1-(2-Bromoethyl)naphtalene,97+%

2-bromoethylnaphthaleneNaphthylathylbromid1-(2-bromo-ethyl)-naphthalene1-(2-bromoethyl)napthalene(2-bromoethyl)naphthaleneSCHEMBL2175571-(2-bromoethyl)-naphthalene2-(naphth-1-yl)ethyl bromide

Database identifiers

CAS: 13686-49-2
PubChem CID: 139541
DTXSID: DTXSID20159983
EC Number: 624-931-2
Nikkaji: J986.196C

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 37 · 37-40 °C (decomp)
Boiling point: 237 · 237-238 °C/760 mmHg (lit.)
Density: 1.646 g/mL · 1.646 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.638(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Store at room temperature
form: Liquid
Appearance: Colorless to light yellow Liquid
Water Solubility: It is slightly soluble in water.
InChI: 1S/C12H11Br/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKey: GPHCPUFIWQJZOI-UHFFFAOYSA-N
SMILES: BrCCc1cccc2ccccc12
CAS DataBase Reference: 13686 · 13686-49-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29036990 · 29036990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 44 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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29036990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1-(2-Bromoethyl)naphthalene has applications in research field such as Western blotting, Immunoprecipitation, immunogen, and in purification, process.

General Description1-(2-Bromoethyl)naphthalene can be obtained from the reaction between 1-(2-hydroxyethyl)naphthalene and phosphorus tribromide.