1-Bromo 4-fluoronaphthalene

HCID 67647

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Basic information

CAS: 341-41-3
Standard SMILES: Fc1ccc(Br)c2ccccc12
InChIKey: VAUJZKBFENPOCH-UHFFFAOYSA-N
Molecular formula: C10H6BrF
Average molar mass: 225.06 g/mol
Monoisotopic mass: 223.96369051

Overview

structure in first source

Names & identifiers

Preferred name: 1-Bromo 4-fluoronaphthalene
IUPAC: 1-bromo-4-fluoronaphthalene
English name: 1-Bromo-4-fluoronaphthalene
Molecular formula: C10H6BrF
Molecular weight: 225.06

Names & synonyms

1-bromo 4-fluoronaphthaleneRefChem:751311-Bromo-4-fluoronaphthalene341-41-31-fluoro-4-bromonaphthalene4-bromo-1-fluoronaphthaleneMFCD00051473EINECS 206-434-91-bromo-4-fluoro-naphthaleneSCHEMBL155660DTXSID301876911-Bromo-4-fluoronaphthalene, 97%

Show more names

BUTTPARK 44\09-751-Bromo-4-fluonaphthalene1-Bromo-4-fluoronaphthalene>1-Bromo-4-fluoronaphthalene 98%1-Bromo-4-fluoronaphthalene,98%

AKOS003349450PS-7786EN300-3522801-Fluoro-4-bromonaphthalene; 4-Fluoro-1-naphthyl Bromide;Naphthalene, 1-bromo-4-fluoro-1-bromo-4-fluoro naphthaleneSBB096776CS-W013050

Database identifiers

CAS: 341-41-3
PubChem CID: 67647
DTXSID: DTXSID30187691
EC Number: 206-434-9
Nikkaji: J193.788J

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 35 · 35-38 °C (lit.)
Boiling point: 110 · 110-115 °C(Press: 2 Torr)
Density: 1.563 · 1.563±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Solid
color: White
BRN: 2085804 · 2085804
InChI: InChI=1S/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey: VAUJZKBFENPOCH-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=C(F)C=C1
CAS DataBase Reference: 341 · 341-41-3(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: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 11 · 11 - Combustible Solids
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 47 reports by companies from 6 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: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
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 · 1 item

Uses1-Bromo-4-fluoronaphthalene is the starting material for the synthesis of Fluorobenzo[c]fluoren (F588435) which is a polycyclic aromatic hydrocarbon used in materials science extensively due to utility in organic electronics, light emitting diodes and solar cells.