CAS 176317-02-5 1-Bromo-2,3,4-trifluorobenzene (HCID 2733255)

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Basic information

CAS: 176317-02-5
Standard SMILES: Fc1ccc(Br)c(F)c1F
InChIKey: MUUAQFJJUGVBGB-UHFFFAOYSA-N
Molecular formula: C6H2BrF3
Average molar mass: 210.98 g/mol
Monoisotopic mass: 209.92919682

Names & identifiers

Preferred name: 1-Bromo-2,3,4-trifluorobenzene
IUPAC: 1-bromo-2,3,4-trifluorobenzene
English name: 2,3,4-Trifluorobromobenzene
Molecular formula: C6H2BrF3
Molecular weight: 210.98

Names & synonyms

1-Bromo-2,3,4-trifluorobenzene176317-02-5DTXSID90369810RefChem:430166DTXCID50320846631-503-92,3,4-TrifluorobromobenzeneBenzene, 1-bromo-2,3,4-trifluoro-MFCD00013248trifluorophenyl bromideSCHEMBL577838l-bromo-2,3,4-trifluorobenzene

Show more names

CAS:176317-02-52,3,4-Trifluorobromo4-TrifluorobroMobenzene2,3,4-Trifluoro-1-bromobenzene2,3,4-Trifluorobromobenzene 99%1-Bromo-2,3,4-trifluorobenzene99%1-Bromo-2,3,4-trifluorobenzene 99%

CS-W015082AS-11924SY017740EN300-663921-bromo-2,3,4-trifluoro-benzeneTrifluorobromobenzeneAM61367MUUAQFJJUGVBGB-

Database identifiers

CAS: 176317-02-5
PubChem CID: 2733255
DTXSID: DTXSID90369810
EC Number: 631-503-9
Nikkaji: J2.254.900F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

Boiling point: 47 · 47-47 °C (60 mmHg)
Density: 1.777 g/mL · 1.777 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.487(lit.)
Flash point: 144 °F · 144 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.811 · 1.811.777
Water Solubility: Slightly soluble in water.
BRN: 7805451 · 7805451
CAS DataBase Reference: 176317 · 176317-02-5(CAS DataBase Reference)
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
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): 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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.