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4-Bromofluorobenzene(CAS No. 460-00-4)

4-Bromofluorobenzene C6H4BrF (cas 460-00-4) Molecular Structure

460-00-4 Structure

Identification and Related Records

【Name】
4-Bromofluorobenzene
【Iupac name】
1-bromo-4-fluorobenzene
【CAS Registry number】
460-00-4
【Synonyms】
Bromofluorobenzenecolorlessliq
1-bromo-4-fluorobenzene
4-Fluorobronibenzene
p-Fluoro Bromo Benzene
p-Bromofluorobenzene
1-bromo-4-fluoro-benzen
1-Fluoro-4-bromobenzene
4-Bromfluorbenzol
4-Fluorbrombenzol
4-Fluorophenyl bromide
4-fluorophenylbromide
Benzene, 1-bromo-4-fluoro-
【EINECS(EC#)】
207-300-2
【Molecular Formula】
C6H4BrF (Products with the same molecular formula)
【Molecular Weight】
175
【Inchi】
InChI=1/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
【InChIKey】
AITNMTXHTIIIBB-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1F)Br
【MOL File】
460-00-4.mol

Chemical and Physical Properties

【Appearance】
White to pale yellow crystalline powder
【Density】
1.593
【Melting Point】
-16℃
【Boiling Point】
151-153℃
【Vapour】
519mmHg at 25°C
【Refractive Index】
1.526-1.528
【Flash Point】
53℃
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29036990
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:174.998363 [g/mol]
Molecular Formula:C6H4BrF
XLogP3:3.2
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:173.948041
MonoIsotopic Mass:173.948041
Topological Polar Surface Area:0
Heavy Atom Count:8
Formal Charge:0
Complexity:66.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R10;R20;R36/37/38
【Safety Statements 】
S16;S26;S37/39
【HazardClass】
3
【Hazard Note】

Flammable/Irritant

【Safety】

Hazard Codes:?IrritantXi,FlammableF,HarmfulXn,ToxicT
Risk Statements: 10-36/37/38-20-39-23/24/25-11-20/21/22?
R10:Flammable.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R20:Harmful by inhalation.?
R39:Danger of very serious irreversible effects.?
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.?
R11:Highly flammable.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-37/39-16-45-36/37-7?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.?
S16:Keep away from sources of ignition.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37:Wear suitable protective clothing and gloves.?
S7:Keep container tightly closed.
RIDADR: UN 1993 3/PG 3
WGK Germany: 1
RTECS: CY9033750
Hazard Note: Flammable/Irritant
HazardClass: 3
PackingGroup: III
HS Code: 29036990

【PackingGroup 】
III
【Transport】
250kgs
【Specification】

? 4-Bromofluorobenzene ,?its cas register number is 460-00-4. It also can be called 1-bromo-4-fluoro-benzen ; 1-Fluoro-4-bromobenzene ; 4-Bromfluorbenzol ; 4-Fluorbrombenzol ; 4-Fluoro-1-bromobenzene ; 4-Fluorophenyl bromide ; 4-fluorophenylbromide ; Benzene, 1-bromo-4-fluoro- .?4-Bromofluorobenzene (CAS NO.460-00-4) is a?clear colorless liquid.

Biomedical Effects and Toxicity

【Pharmacological Action】
ACUTE/CHRONIC HAZARDS: Irritant.

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