CAS 1435-52-5 1,4-Dibromo-2-fluorobenzene (HCID 137004)

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Basic information

CAS: 1435-52-5
Standard SMILES: Fc1cc(Br)ccc1Br
InChIKey: WNSNPGHNIJOOPM-UHFFFAOYSA-N
Molecular formula: C6H3Br2F
Average molar mass: 253.89 g/mol
Monoisotopic mass: 251.85855252

Names & identifiers

Preferred name: 1,4-Dibromo-2-fluorobenzene
IUPAC: 1,4-dibromo-2-fluorobenzene
English name: 1,4-Dibromo-2-fluorobenzene
Molecular formula: C6H3Br2F
Molecular weight: 253.89

Names & synonyms

1,4-Dibromo-2-fluorobenzene1435-52-5DTXSID10162446NSC 402971RefChem:416698DTXCID0084937629-432-32,5-dibromo-fluorobenzene2,5-dibromofluorobenzeneMFCD00010603Benzene, 1,4-dibromo-2-fluoro-NSC402971

Show more names

2-FLUORO-4-BROMOBROMOBENZENE2,5-Dibromofluorobenzene 98%1,4-Dibromo-2-fluorobenzene>1,4-Dibromo-2-fluorobenzene98%1,4-Dibromo-2-fluorobenzene 98%1,4-Dibromo-2-fluorobenzene, 99+%1,4-DIBROMO-2-FLUOROBENZENE ISO 9001：2015 REACH

SCHEMBL325998CK2389AKOS015835210NSC-402971AS-19431BP-12757SY0207161,4-dibromo-2-fluoro-benzene

Database identifiers

CAS: 1435-52-5
PubChem CID: 137004
DTXSID: DTXSID10162446
EC Number: 629-432-3
Nikkaji: J382.988J

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 33 · 33-36 °C (lit.)
Boiling point: 216 °C · 216 °C (lit.)
Density: 2.0491 · 2.0491 (rough estimate)
refractive index: 1.577 · 1.5770 (estimate)
Flash point: 215 °F · 215 °F
storage temp.: Sealed in dry,Room Temperature
form: powder to lump to clear liquid
color: White or Colorles to Yellow to Orange
Water Solubility: Insoluble in water.
FreezingPoint: 32 to · 32.0 to 34.0 ℃
BRN: 3236451 · 3236451
InChI: InChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey: WNSNPGHNIJOOPM-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(Br)C=C1F
CAS DataBase Reference: 1435 · 1435-52-5(CAS DataBase Reference)

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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.