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626-39-1

Basic Information
CAS No.: 626-39-1
Name: Tribromobenzene
Article Data: 56
Molecular Structure:
Molecular Structure of 626-39-1 (Tribromobenzene)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-37/39-26
PSA: 0.00000
LogP: 3.97410
Synthetic route

2,4,6-tribromobenzenediazonium o-benzenedisulfonimide

626-39-1

1,3,5-trisbromobenzene

Conditions
ConditionsYield
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
147-82-0

2,4,6-tribromoaniline

626-39-1

1,3,5-trisbromobenzene

Conditions
ConditionsYield
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;
722540-83-2

(2,4,6-tribromophenyl)triethylsilane

626-39-1

1,3,5-trisbromobenzene

Conditions
ConditionsYield
With potassium fluoride In tetrahydrofuran; water for 12h; Heating;91%
401631-91-2

C10H12Br3N3

A

626-39-1

1,3,5-trisbromobenzene

B

21521-51-7

2,4,6-tribromoiodobenzene

Conditions
ConditionsYield
With tetrafluoroboric acid; hydrogen iodide In acetonitrile at 60℃; for 24h;A 2%
B 84%
401631-91-2

C10H12Br3N3

A

626-39-1

1,3,5-trisbromobenzene

B

78904-10-6

1,3,5-tribromo-2-chloro-benzene

Conditions
ConditionsYield
With methanesulfonic acid; N-benzyl-N,N,N-triethylammonium chloride; copper In acetonitrile at 40℃; for 1h;A 13%
B 78%

2-methoxycarbonyl-3',5'-dibromobiphenyl

374538-03-1

2-methoxycarbonylphenylboronic acid

626-39-1

1,3,5-trisbromobenzene

Conditions
ConditionsYield
54%

tribromo-benzenediazonium tetrafluoroborate

A

626-39-1

1,3,5-trisbromobenzene

B

134253-67-1

2,4,6-tribromobenzenediazohydroxide

Conditions
ConditionsYield
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%

tribromo-benzenediazonium tetrafluoroborate

A

626-39-1

1,3,5-trisbromobenzene

B

134253-67-1

2,4,6-tribromobenzenediazohydroxide

C

dibromo-hydroxybenzene

dibromo-hydroxybenzene

Conditions
ConditionsYield
With 2,2,2-trifluoroethanol at 34℃; for 24h; Product distribution; influence of magnetic field;A 47%
B 8.8%
C n/a
147-82-0

2,4,6-tribromoaniline

544-92-3

copper(I) cyanide

A

626-39-1

1,3,5-trisbromobenzene

B

634-89-9

1,2,3,5-tetrabromobenzene

C

3463-40-9

2,4,6-tribromonitrobenzene

D

35851-93-5

2,4,6-tribromobenzonitrile

E

118-79-6

2,4,6-tribromophenol

Conditions
ConditionsYield
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%
147-82-0

2,4,6-tribromoaniline

544-92-3

copper(I) cyanide

A

626-39-1

1,3,5-trisbromobenzene

B

3463-40-9

2,4,6-tribromonitrobenzene

C

35851-93-5

2,4,6-tribromobenzonitrile

D

118-79-6

2,4,6-tribromophenol

Conditions
ConditionsYield
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; Further byproducts given;A 37%
B 4%
C 20%
D 4%
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    TRIBROMOBENZENE

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Chemistry

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

Uses

 1,3,5-Tribromobenzene (626-39-1) is used as a fundamental raw material for organic synthesis.

Safety Profile

Hazard Codes: IrritantXi
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

Standards and Recommendations

PURITY: 98.5% min
WATER: 0.2% max

Specification

 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.