1-Bromo-2,3,5-trifluorobenzene

HCID 2736399

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 133739-70-5
Standard SMILES: Fc1cc(F)c(F)c(Br)c1
InChIKey: XSMLLZPSNLQCQU-UHFFFAOYSA-N
Molecular formula: C6H2BrF3
Average molar mass: 210.98 g/mol
Monoisotopic mass: 209.92919682

Names & identifiers

Preferred name: 1-Bromo-2,3,5-trifluorobenzene
IUPAC: 1-bromo-2,3,5-trifluorobenzene
English name: 1-Bromo-2,3,5-trifluorobenzene
Molecular formula: C6H2BrF3
Molecular weight: 210.98

Names & synonyms

1-Bromo-2,3,5-trifluorobenzene133739-70-5DTXSID30371336RefChem:430168DTXCID00322370623-354-32,3,5-trifluorobromobenzeneMFCD00012232Benzene, 1-bromo-2,3,5-trifluoro-1-bromo-2,3,5-trifluoro-benzeneSCHEMBL146459SCHEMBL504762

Show more names

1-Bromo-2,3,5-trifL1-Bromo-2,3,5-triflu,3,5-Trifluorobromobenzene2,3,5-trifluoro-1-bromobenzene2,3,5-Trifluorobromobenzene98%2,3,5-Trifluorobromobenzene 98%1-Bromo-2,3,5-trifluorobenzene98%

SCHEMBL15352242SCHEMBL29382820SBB094429AKOS005257833AC-9676CS-W0150801-Bromo-2,3,5-trifluorobenzene, 98%AS-33097

Database identifiers

CAS: 133739-70-5
PubChem CID: 2736399
DTXSID: DTXSID30371336
EC Number: 623-354-3
Nikkaji: J693.635K

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: 143 ℃ · 143℃
Density: 1.758 g/mL · 1.758 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.486(lit.)
Flash point: 89 °F · 89 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Liquid
color: Colorless to yellow
Specific Gravity: 1.758 · 1.758
BRN: 7369071 · 7369071
InChI: InChI=1S/C6H2BrF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChIKey: XSMLLZPSNLQCQU-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=CC(F)=C1F
CAS DataBase Reference: 133739 · 133739-70-5(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P303+P361+P353-P405-P501a-P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Hazard Codes: Xi,F
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39-36
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2903998090 · 2903998090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 2903998090
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 16-26-36/37/39-36
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P305+P351+P338-P303+P361+P353-P405-P501a-P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501