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  • 4-Bromoacetophenone
Name:4-Bromoacetophenone
CAS No:99-90-1

PRODUCT DESCRIPTION

【Name】
4'-Bromoacetophenone
【CAS Registry number】
99-90-1
【Synonyms】
1-(4-Bromophenyl)ethanone
1-Acetyl-4-bromobenzene
p-Bromo acetophenone,98%
4-Bromoacetophenone
4'-Bromoacetophene
【EINECS(EC#)】
202-799-3
【Molecular Formula】
C8H7BrO (Products with the same molecular formula)
【Molecular Weight】
199.05
【Inchi】
InChI=1/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
【InChIKey】
WYECURVXVYPVAT-UHFFFAOYSA-N
【MOL File】
99-90-1.mol

Chemical and Physical Properties

【Appearance】
white crystal
【Density】
1.64
【Melting Point】
48-52℃
【Boiling Point】
255℃
【Refractive Index】
1.647 (20 C)
【Flash Point】
94.3 oC
【Water】
methanol: 0.1 g/mL, clear
【Solubilities】
methanol: 0.1 g/mL, clear
【Stability】
No data.
【HS Code】
29147090
【Storage temp】
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
【Computed Properties】
Molecular Weight:199.04458 [g/mol]
Molecular Formula:C8H7BrO
XLogP3:2.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:197.968027
MonoIsotopic Mass:197.968027
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:125
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 Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/38
【Safety Statements 】
S22;S26
【HazardClass】
6.1
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?CorrosiveCIrritantXiHarmfulXn
Risk Statements: 34-36/38-42/43-36/37/38?
R34: Causes burns
R36/38: Irritating to eyes and skin
R42/43: May cause sensitization by inhalation and skin contact
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39-45-22-36/37?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S22: Do not breathe dust
S36/37: Wear suitable protective clothing and gloves
RIDADR: UN 3261 8/PG 2
WGK Germany: 2
RTECS: AM6950000
F: 19-21?
F19: Lachrymator
F21:?Sensitive to humidity
Hazard Note: Irritant 
HS Code: 29147090

【PackingGroup 】
I; II; III
【Transport】
UN 3261 8
【Specification】

?4'-Bromoacetophenone (CAS NO.99-90-1) is also called as? 4-Bromoacetophenone ; p-Bromoacetophenone?; Methyl p-bromophenyl ketone ;?p-Bromophenyl methyl ketone ; Acetophenone, 4'-bromo- (8CI) ; Ethanone, 1-(4-bromophenyl)- .

Use and Manufacturing

【Usage】

Intermediates of Liquid Crystals

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