1-Bromo-4-(pentafluoroethoxy)benzene

HCID 91853

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Basic information

CAS: 56425-85-5
Standard SMILES: FC(F)(F)C(F)(F)Oc1ccc(Br)cc1
InChIKey: BGNSROFPLXZBJD-UHFFFAOYSA-N
Molecular formula: C8H4BrF5O
Average molar mass: 291.01 g/mol
Monoisotopic mass: 289.93656795

Names & identifiers

Preferred name: 1-Bromo-4-(pentafluoroethoxy)benzene
IUPAC: 1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene
English name: Benzene, 1-bromo-4-(pentafluoroethoxy)-
Molecular formula: C8H4BrF5O
Molecular weight: 291.01

Names & synonyms

56425-85-51-bromo-4-(pentafluoroethoxy)benzeneDTXSID2073562RefChem:430604DTXCID1042073822-347-41-Bromo-4-(perfluoroethoxy)benzene1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzeneBenzene, 1-bromo-4-(pentafluoroethoxy)-MFCD000409414-Bromopentafluoroethoxybenzenepentafluoroethoxy-4-bromobenzene

Show more names

4-Pentafluoroethoxybromobenzenep-Bromo(pentafluoroethoxy)benzenep-Bromophenyl pentafluoroethyl ether1-BroMo-4-pentafluoroethyloxy-benzene

SCHEMBL1230294bromo-4-(perfluoroethoxy)-benzene4-bromophenyl pentafluoroethyl etherAKOS016011211DS-6554SY111102DB-363440EN300-53513

Database identifiers

CAS: 56425-85-5
PubChem CID: 91853
DTXSID: DTXSID2073562
EC Number: 822-347-4
Nikkaji: J1.619.184A

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 210

Physicochemical properties

Boiling point: 186 ℃ · 186℃
Density: 1.677 · 1.677
Flash point: 83 ℃ · 83℃
storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
EPA Substance Registry System: 1 · Benzene, 1-bromo-4-(pentafluoroethoxy)- (56425-85-5)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

hs_code: 2909309090
Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501