2-Bromo-1-iodo-4-(trifluoromethyl)benzene

HCID 16244089CAS 481075-58-5

Substructure search Find similar structures

Basic information

Standard SMILES: FC(F)(F)c1ccc(I)c(Br)c1
InChIKey: LFHYCNXVEWPYAB-UHFFFAOYSA-N
Molecular formula: C7H3BrF3I
Average molar mass: 350.9 g/mol
Monoisotopic mass: 349.84149486

Names & identifiers

Preferred name: 2-Bromo-1-iodo-4-(trifluoromethyl)benzene
IUPAC: 2-bromo-1-iodo-4-(trifluoromethyl)benzene
English name: 2-Bromo-1-iodo-4-trifluoromethyl-benzene
Molecular formula: C7H3BrF3I
Molecular weight: 350.9

Names & synonyms

2-bromo-1-iodo-4-(trifluoromethyl)benzene481075-58-5DTXSID30585638RefChem:256911DTXCID30536403674-750-83-Bromo-4-iodobenzotrifluoride2-bromo-1-iodo-4-trifluoromethyl-benzeneMFCD08543938Benzene, 2-bromo-1-iodo-4-(trifluoromethyl)-SCHEMBL3544291AS-19869

Show more names

3-bromo-4-iodo-trifluoromethylbenzene2-Bromo-4-(trifluoromethyl)iodobenzene2-Bromo-1-iodo-4-(trifluoromethyl)benzene, 3-Bromo-4-iodo-alpha,alpha,alpha-trifluorotoluene

SY0290183-bromo-4-iodo-benzotrifluorideSCHEMBL30116692AKOS015967458CS-0094801EN300-862642-bromanyl-1-iodanyl-4-(trifluoromethyl)benzeneF034778

Database identifiers

CAS: 481075-58-5
PubChem CID: 16244089
DTXSID: DTXSID30585638
EC Number: 674-750-8
Nikkaji: J1.780.447B

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 36 · 36-38.5℃ (ethanol )
Boiling point: 236.9 · 236.9±40.0℃ (760 Torr)
Density: 2.176 · 2.176±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 97.1 · 97.1±27.3℃
storage temp.: 2 · 2-8°C(protect from light)
form: fused solid
color: Peach/faint orange
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 501 · P501-P210-P280-P370+P378-P403+P235
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.