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Name	1,3,5-Tribromobenzene	EINECS	210-947-3
CAS No.	626-39-1	Density	2.281 g/cm³
PSA	0.00000	LogP	3.97410
Solubility	insoluble in water	Melting Point	117-121 °C(lit.)
Formula	C₆H₃Br₃	Boiling Point	269.4 °C at 760 mmHg
Molecular Weight	314.802	Flash Point	115.5 °C
Transport Information	N/A	Appearance	Lump powder
Safety	22-24/25-37/39-26	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Benzene,1,3,5-tribromo-;NSC 62439;	Article Data	56

1,3,5-Tribromobenzene Synthetic route

: 2,4,6-tribromobenzenediazonium o-benzenedisulfonimide

: 626-39-1
1,3,5-trisbromobenzene

Conditions

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

: 147-82-0
2,4,6-tribromoaniline

: 626-39-1
1,3,5-trisbromobenzene

Conditions

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;

: 722540-83-2
(2,4,6-tribromophenyl)triethylsilane

: 626-39-1
1,3,5-trisbromobenzene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
	54%

: tribromo-benzenediazonium tetrafluoroborate

A: 626-39-1
1,3,5-trisbromobenzene

B: 134253-67-1
2,4,6-tribromobenzenediazohydroxide

Conditions

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%

: 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

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

: 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

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%

...Expand

: 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

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

...Expand

1,3,5-Tribromobenzene Chemical Properties

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 Uses

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

1,3,5-Tribromobenzene Safety Profile

Hazard Codes: Irritant 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

1,3,5-Tribromobenzene Standards and Recommendations

PURITY: 98.5% min
WATER: 0.2% max

1,3,5-Tribromobenzene 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.

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