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CAS No.: | 626-39-1 |
---|---|
Name: | Tribromobenzene |
Article Data: | 56 |
Molecular Structure: | |
Formula: | C6H3Br3 |
Molecular Weight: | 314.802 |
Synonyms: | Benzene,1,3,5-tribromo-;NSC 62439; |
EINECS: | 210-947-3 |
Density: | 2.281 g/cm3 |
Melting Point: | 117-121 °C(lit.) |
Boiling Point: | 269.4 °C at 760 mmHg |
Flash Point: | 115.5 °C |
Solubility: | insoluble in water |
Appearance: | Lump powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25-37/39-26 |
PSA: | 0.00000 |
LogP: | 3.97410 |
1,3,5-trisbromobenzene
Conditions | Yield |
---|---|
With dihydrogen peroxide In tetrahydrofuran for 0.166667h; Heating; | 100% |
Multi-step reaction with 2 steps 1: 92 percent / aq. NaOH / 0.5 h / 0 - 5 °C 2: 2 percent / aq. HI; HBF4 / acetonitrile / 24 h / 60 °C View Scheme | |
Multi-step reaction with 2 steps 1: 92 percent / aq. NaOH / 0.5 h / 0 - 5 °C 2: 13 percent / Et3PhCH2N(+)Cl(-); MeSO3H; Cu / acetonitrile / 1 h / 40 °C View Scheme |
Conditions | Yield |
---|---|
Stage #1: 2,4,6-tribromoaniline With hydrogenchloride; sodium nitrite In water Stage #2: With ethanol In water | 92% |
With sulfuric acid; sodium nitrite In ethanol at 20℃; Reflux; | 90% |
With ethanol; sulfuric acid; benzene Reagens 4: Natriumnitrit; |
(2,4,6-tribromophenyl)triethylsilane
1,3,5-trisbromobenzene
Conditions | Yield |
---|---|
With potassium fluoride In tetrahydrofuran; water for 12h; Heating; | 91% |
Conditions | Yield |
---|---|
With tetrafluoroboric acid; hydrogen iodide In acetonitrile at 60℃; for 24h; | A 2% B 84% |
Conditions | Yield |
---|---|
With methanesulfonic acid; N-benzyl-N,N,N-triethylammonium chloride; copper In acetonitrile at 40℃; for 1h; | A 13% B 78% |
2-methoxycarbonylphenylboronic acid
1,3,5-trisbromobenzene
Conditions | Yield |
---|---|
54% |
A
1,3,5-trisbromobenzene
B
2,4,6-tribromobenzenediazohydroxide
Conditions | Yield |
---|---|
With 2,2,2-trifluoroethanol at 34℃; for 24h; Irradiation; Further byproducts given; | A 47% B 8.8% |
With 2,2,2-trifluoroethanol at 34℃; for 24h; Irradiation; Further byproducts given; | A 47% B 8.8% |
With 2,2,2-trifluoroethanol at 34℃; for 24h; Further byproducts given; | A 35.5% B 4.1% |
A
1,3,5-trisbromobenzene
B
2,4,6-tribromobenzenediazohydroxide
Conditions | Yield |
---|---|
With 2,2,2-trifluoroethanol at 34℃; for 24h; Product distribution; influence of magnetic field; | A 47% B 8.8% C n/a |
2,4,6-tribromoaniline
copper(I) cyanide
A
1,3,5-trisbromobenzene
B
1,2,3,5-tetrabromobenzene
C
2,4,6-tribromonitrobenzene
D
2,4,6-tribromobenzonitrile
E
2,4,6-tribromophenol
Conditions | Yield |
---|---|
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; Product distribution; Mechanism; other anilines; | A 37% B 7% C 4% D 20% E 4% |
2,4,6-tribromoaniline
copper(I) cyanide
A
1,3,5-trisbromobenzene
B
2,4,6-tribromonitrobenzene
C
2,4,6-tribromobenzonitrile
D
2,4,6-tribromophenol
Conditions | Yield |
---|---|
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; Further byproducts given; | A 37% B 4% C 20% D 4% |
Molecule structure of 1,3,5-Tribromobenzene (CAS NO.626-39-1):
IUPAC Name: 1,3,5-Tribromobenzene
Molecular Formula: C6H3Br3
Molecular Weight: 314.80002 g/mol
Density: 2.281 g/cm3
Melting Point: 117-121 °C(lit.)
Boiling Point: 269.4 °C at 760 mmHg
Flash Point: 115.5 °C
Formula Weight: 314.8 g/mol
Index of Refraction: 1.633
Molar Refractivity: 49.32 cm3
Molar Volume: 137.9 cm3
Surface Tension: 45.6 dyne/cm
Enthalpy of Vaporization: 48.71 kJ/mol
Vapour Pressure: 0.012 mmHg at 25 °C
XLogP3: 4.5
Exact Mass: 313.776441
MonoIsotopic Mass: 311.778488
Canonical SMILES: C1=C(C=C(C=C1Br)Br)Br
InChI: InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N
EINECS: 210-947-3
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Organics;Benzene derivates;Aryl;C6;Halogenated Hydrocarbons
1,3,5-Tribromobenzene (626-39-1) is used as a fundamental raw material for organic synthesis.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: DC1957200
HS Code: 29036990
PURITY: 98.5% min
WATER: 0.2% max
1,3,5-Tribromobenzene (CAS NO.626-39-1) is also named as AI3-15483 ; NSC 62439 ; Benzene, 1,3,5-tribromo- . 1,3,5-Tribromobenzene (CAS NO.626-39-1) is Light yellow brown powder. It is insoluble in water, soluble in hot ethanol, glacial acetic acid.