2,4,6-Trifluorobenzyl bromide

HCID 2777059CAS 151411-98-2

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1cc(F)c(CBr)c(F)c1
InChIKey: SPPLWANVCVTGEQ-UHFFFAOYSA-N
Molecular formula: C7H4BrF3
Average molar mass: 225.01 g/mol
Monoisotopic mass: 223.94484689

Names & identifiers

Preferred name: 2,4,6-Trifluorobenzyl bromide
IUPAC: 2-(bromomethyl)-1,3,5-trifluorobenzene
English name: 2,4,6-Trifluorobenzyl bromide
Molecular formula: C7H4BrF3
Molecular weight: 225.01

Names & synonyms

2,4,6-Trifluorobenzyl bromide151411-98-2DTXSID20380356RefChem:82121DTXCID60331382642-861-0SPPLWANVCVTGEQ-UHFFFAOYSA-N2-(bromomethyl)-1,3,5-trifluorobenzeneBenzene, 2-(bromomethyl)-1,3,5-trifluoro-MFCD000612102-(bromomethyl)-1,3,5-trifluoro-benzeneSCHEMBL189364

Show more names

à-bromo-2,4,6-trifluorotoluene2,4,6-Trifluorobenzylbromide97%2,4,6-Trifluorobenzyl bromide 97%alpha-Bromo-2,4,6-trifluorotoluene

CK2040SBB096755AKOS009158634AC-26205AS-45854SY2277462,4,6-trifluorobenzyl bromide, AldrichCPREN300-1912473

Database identifiers

CAS: 151411-98-2
PubChem CID: 2777059
DTXSID: DTXSID20380356
EC Number: 642-861-0

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Physicochemical properties

Boiling point: 177.4 · 177.4±35.0 °C(Predicted)
Density: 1.71 · 1.710±0.06 g/cm3(Predicted)
refractive index: 1.502 · 1.502
storage temp.: 2 · Storage temp. 2-8°C
form: liquid
color: Pale yellow
Sensitive: Lachrymatory
BRN: 8763072 · 8763072
InChI: InChI=1S/C7H4BrF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
InChIKey: SPPLWANVCVTGEQ-UHFFFAOYSA-N
SMILES: C1(F)=CC(F)=CC(F)=C1CBr
CAS DataBase Reference: 151411 · 151411-98-2(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C,T
Risk Statements: 34 · 34-36-25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 1760 · 1760
WGK Germany: 3 · WGK 3
Hazard Note: Corrosive/Lachrymatory
TSCA: T
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2903998090 · 2903998090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (83%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (83%)

Safety data

wgk: WGK 3
tsca: T
ridadr: 1760
hs_code: 2903998090
risk_code: 34-36-25
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,T
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: II
Hazard statements: H314-H318
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a