4-Chloro-2-fluorobenzyl bromide

HCID 2736551

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Basic information

CAS: 71916-82-0
Standard SMILES: Fc1cc(Cl)ccc1CBr
InChIKey: UFCSSWZQROEFBZ-UHFFFAOYSA-N
Molecular formula: C7H5BrClF
Average molar mass: 223.47 g/mol
Monoisotopic mass: 221.92472

Names & identifiers

Preferred name: 4-Chloro-2-fluorobenzyl bromide
IUPAC: 1-(bromomethyl)-4-chloro-2-fluorobenzene
English name: 2-Fluoro-4-chlorobenzyl bromide
Molecular formula: C7H5BrClF
Molecular weight: 223.47

Names & synonyms

71916-82-04-Chloro-2-fluorobenzyl bromideRefChem:521072615-694-61-(bromomethyl)-4-chloro-2-fluorobenzene2-Fluoro-4-chlorobenzyl bromideMFCD008311054-Chloro-2-fluorobenzylbromide1-(bromomethyl)-4-chloro-2-fluoro-benzeneBenzene, 1-(bromomethyl)-4-chloro-2-fluoro-1-Bromomethyl-4-chloro-2-fluoro-benzeneSCHEMBL269324

Show more names

4-Chloro-2-fluorobenzyl Bromide >4-Chloro-2-fluorobenzyl bromide 99%4-Chloro-2-fluorobenzyl bromide, tech1-(Bromomethyl)-4-chloro-2-fluorobenzene, Tech.1-(Bromomethyl)-4-chloro-2-fluorobenzene, alpha-Bromo-4-chloro-2-fluorotoluene

SCHEMBL27785502SCHEMBL27807512DTXSID703714364-chloro-2-fluoro benzyl bromide4-chloro-2-fluoro-benzyl bromideUFCSSWZQROEFBZ-UHFFFAOYSA-NCK2033SBB070819

Database identifiers

CAS: 71916-82-0
PubChem CID: 2736551
DTXSID: DTXSID70371436
EC Number: 615-694-6

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Boiling point: 96 °C · 96 °C
Density: 1.654 · 1.654±0.06 g/cm3(Predicted)
refractive index: 1.568 · 1.5680
Flash point: 96 · 96-98°C/15mm
storage temp.: 2 · Inert atmosphere,2-8°C
form: clear liquid
color: Colorless to Light orange to Yellow
Sensitive: Lachrymatory
InChI: InChI=1S/C7H5BrClF/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey: UFCSSWZQROEFBZ-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C(Cl)C=C1F
CAS DataBase Reference: 71916 · 71916-82-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H290-H314-H318
Precautionary statements: 210 · P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501-P305+P351+P338-P309-P310
Hazard Codes: C,Xn
Risk Statements: 34 · 34-36/37/38-22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · 3265
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29039990 · 29039990

Safety & regulation

Safety data

ridadr: 3265
hs_code: 29039990
risk_code: 34-36/37/38-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xn
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H227-H290-H314-H318
Precautionary statements: P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501-P305+P351+P338-P309-P310