3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

HCID 104377

Notes Reactions

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Basic information

CAS: 53001-73-3
Standard SMILES: Fc1cc(F)c(F)c(CBr)c1F
InChIKey: QHZBSXQCGIQSID-UHFFFAOYSA-N
Molecular formula: C7H3BrF4
Average molar mass: 243 g/mol
Monoisotopic mass: 241.93542508

Names & identifiers

Preferred name: 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene
IUPAC: 3-(bromomethyl)-1,2,4,5-tetrafluorobenzene
English name: 2,3,5,6-Tetrafluorobenzyl bromide
Molecular formula: C7H3BrF4
Molecular weight: 243

Names & synonyms

53001-73-33-(Bromomethyl)-1,2,4,5-tetrafluorobenzeneEINECS 258-289-6DTXSID80201053RefChem:92566DTXCID80123544258-289-62,3,5,6-Tetrafluorobenzyl bromide2,3,5,6-tetrafluorobenzylbromideMFCD00013549Benzene, 3-(bromomethyl)-1,2,4,5-tetrafluoro-SCHEMBL1665386

Show more names

à-bromo-2,3,5,6-tetrafluorotoluene2,3,5,6-TETRAFLUOROBENZYL BROMIDE 97%alpha-Bromo-2,3,5,6-tetrafluorotoluene2,3,5,6-Tetrafluorobenzyl bromide, 98+%3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene, alpha-Bromo-2,3,5,6-tetrafluorotoluene

A-bromo-2,3,4,6-tetrafluorotolueneAKOS015854286T1886FT-0609429SBB070865FS-3952SY050252DB-052231

Database identifiers

CAS: 53001-73-3
PubChem CID: 104377
DTXSID: DTXSID80201053
EC Number: 258-289-6
Nikkaji: J295.854F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 140

Physicochemical properties

Boiling point: 79 · 79-80°C 80mm
Density: 1.79 · 1.79
refractive index: 1.486 · 1.486-1.488
Flash point: 79 · 79-80°C/80mm
form: clear liquid
color: Colorless to Orange to Green
Sensitive: Lachrymatory
BRN: 2263041 · 2263041
CAS DataBase Reference: 53001 · 53001-73-3(CAS DataBase Reference)
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
Risk Statements: 34 · 34-20/21/22
Safety Statements: 45 · 45-36/37/39-26
RIDADR: 1760 · 1760
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29183000 · 29183000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Safety data

ridadr: 1760
hs_code: 29183000
risk_code: 34-20/21/22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 45-36/37/39-26
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a