1,1,3-Tribromoacetone supplier

Name
1,1,3-Tribromoacetone
EINECS
CAS No. 3475-39-6
Article Data12
CAS DataBase
Density 2.561 g/cm³
Solubility
Melting Point 28-29 °C
Formula C₃H₃Br₃O
Boiling Point 266.2 °C at 760 mmHg
Molecular Weight 294.768
Flash Point 115.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1,3-Tribromo-2-propanone;1,1,3-Tribromoacetone;NSC 233916;
PSA 17.07000
LogP 2.06630

Synthetic route

: 106-96-7
propargyl bromide

: 3475-39-6
1,1,3-tribromoacetone

Conditions

Conditions	Yield
With Oxone; potassium bromide In water; acetonitrile at 20℃; for 0.5h;	89%

: 26307-21-1
2,2'-diphenoxy-2,2'-azopropane

A: 106-41-2
4-bromo-phenol

B: 816-39-7
1,3-dibromoroacetone

C: 3475-39-6
1,1,3-tribromoacetone

Conditions

Conditions	Yield
With bromine In tetrachloromethane; acetonitrile Ambient temperature;	A 88% B n/a C n/a

...Expand

: 62012-16-2
(trimethylsilyl)cyclopropanone

A: 2857-97-8
trimethylsilyl bromide

B: 3475-39-6
1,1,3-tribromoacetone

Conditions

Conditions	Yield
With bromine In dichloromethane	A 70% B 63%

: 26307-21-1
2,2'-diphenoxy-2,2'-azopropane

A: 106-41-2
4-bromo-phenol

B: 816-39-7
1,3-dibromoroacetone

C: 3475-39-6
1,1,3-tribromoacetone

D: 95-56-7
2-hydroxybromobenzene

Conditions

Conditions	Yield
With bromine In tetrachloromethane; acetonitrile Ambient temperature;	A 2% B n/a C n/a D 68%

...Expand

: 867-54-9
1,1-dibromopropan-2-one

: 3475-39-6
1,1,3-tribromoacetone

Conditions

Conditions	Yield
With bromine; acetic acid

: 816-39-7
1,3-dibromoroacetone

: 3475-39-6
1,1,3-tribromoacetone

Conditions

Conditions	Yield
With bromine; acetic acid at 90℃;

: 867-54-9
1,1-dibromopropan-2-one

: 64-19-7
acetic acid

A: 3475-39-6
1,1,3-tribromoacetone

B: 3770-98-7
1,1,1-tribromopropan-2-one

Conditions

Conditions	Yield
bei der Bromierung;

...Expand

: 816-39-7
1,3-dibromoroacetone

: 64-19-7
acetic acid

A: 3475-39-6
1,1,3-tribromoacetone

B: 62874-50-4
1,1,1,3-tetrabromo-propan-2-one

Conditions

Conditions	Yield
beim Bromieren;

...Expand

: 67-64-1
acetone

: 3475-39-6
1,1,3-tribromoacetone

Conditions

Conditions	Yield
With hydrogen bromide; bromine

: 67-64-1
acetone

A: 816-39-7
1,3-dibromoroacetone

B: 3475-39-6
1,1,3-tribromoacetone

C: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With pyridinium hydrobromide perbromide In methanol at 20 - 45℃; for 0.25h; Yield given. Yields of byproduct given;

...Expand

: 7732-18-5
water

: 7726-95-6
bromine

: 67-64-1
acetone

acid: acid

A: 816-39-7
1,3-dibromoroacetone

B: 3475-39-6
1,1,3-tribromoacetone

C: 22612-89-1
1,1,3,3-tetrabromoacetone

...Expand

: 867-54-9
1,1-dibromopropan-2-one

: 7732-18-5
water

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 816-39-7
1,3-dibromoroacetone

B: 3475-39-6
1,1,3-tribromoacetone

C: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
Gleichgewicht;

...Expand

: 67-64-1
acetone

A: 3475-39-6
1,1,3-tribromoacetone

B: 22612-89-1
1,1,3,3-tetrabromoacetone

Conditions

Conditions	Yield
With hydrogen bromide; bromine In water at 0 - 23℃; for 212h; Inert atmosphere; Overall yield = 85 g;

: 3475-39-6
1,1,3-tribromoacetone

: 1082905-90-5
1,1,3-tribromo-2-sulfanylpropan-2-ol

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen sulfide In methanol at -50℃;	85%

: 3475-39-6
1,1,3-tribromoacetone

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 35011-47-3
2,4,5-triamino-6-hydroxypyrimidine sulfate

: 59-30-3
folate

Conditions

Conditions	Yield
With sodium carbonate In ethanol; water at 40℃; pH=7.5; Temperature; pH-value;	60%

...Expand

: 3240-72-0
5,6-diaminouracil

: 3475-39-6
1,1,3-tribromoacetone

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 25663-25-6
N-{4-[(2,4-dioxo-1,2,3,4-tetrahydro-pteridin-6-ylmethyl)-amino]-benzoyl}-L-glutamic acid

Conditions

Conditions	Yield
With aqueous solution of pH 1-5

...Expand

: 1004-75-7
2,5,6-triamino-3,4-dihydro-4-pyrimidinone

: 3475-39-6
1,1,3-tribromoacetone

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 59-30-3
folic acid

...Expand

: 1004-75-7
2,5,6-triamino-3,4-dihydro-4-pyrimidinone

: 3475-39-6
1,1,3-tribromoacetone

: 875430-61-8
N-(4-amino-3-methyl-benzoyl)-L-glutamic acid

: N-(3'-methyl-pteroyl)-L-glutamic acid

...Expand

: 1004-75-7
2,5,6-triamino-3,4-dihydro-4-pyrimidinone

: 3475-39-6
1,1,3-tribromoacetone

: 150-13-0
4-amino-benzoic acid

: 119-24-4
pteroic acid

Conditions

Conditions	Yield
With ethanol Loesung vom pH 4;

...Expand

: 1004-74-6
2,4,5,6-tetraaminopyrimidine

: 3475-39-6
1,1,3-tribromoacetone

: 10541-83-0
N-methyl-p-aminobenzoic acid

: 19741-14-1
4-[(2,4-diaminopteridin-6-ylmethyl)methylamino]benzoic acid

Conditions

Conditions	Yield
in wss.Loesung vom pH 3;

...Expand

: 1004-74-6
2,4,5,6-tetraaminopyrimidine

: 3475-39-6
1,1,3-tribromoacetone

: 879278-42-9
N-(4-amino-benzoyl)-serine

: N-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoyl}-DL-serine

Conditions

Conditions	Yield
With sodium dichromate; water

...Expand

: 3475-39-6
1,1,3-tribromoacetone

: 636-38-4
3-hydroxy-2-oxo-propionaldehyde

Conditions

Conditions	Yield
With sodium hydroxide

: 3475-39-6
1,1,3-tribromoacetone

: 1609-92-3
(Z)-3-bromoacrylic acid

Conditions

Conditions	Yield
With potassium hydrogencarbonate

: 3475-39-6
1,1,3-tribromoacetone

: 122-52-1
triethyl phosphite

: 98434-75-4
phosphoric acid diethyl ester-(2,2-dibromo-1-methyl-vinyl ester)

: 67-56-1
methanol

: 3475-39-6
1,1,3-tribromoacetone

: 6214-22-8
methyl (Z)-3-bromoacrylate

Conditions

Conditions	Yield
(i) aq. NaHSO4, (ii) SOCl2, (iii) /BRN= 1098229/; Multistep reaction;

: 115-08-2
thiocarboxamide

: 3475-39-6
1,1,3-tribromoacetone

: 4-dibromomethyl-4,5-dihydro-thiazol-4-ol

Conditions

Conditions	Yield
In diethyl ether

: 3475-39-6
1,1,3-tribromoacetone

: 62-55-5
thioacetamide

: 4-dibromomethyl-2-methyl-4,5-dihydro-thiazol-4-ol

Conditions

Conditions	Yield
In acetone for 48h;

: 3475-39-6
1,1,3-tribromoacetone

: 17356-08-0
thiourea

: 20949-76-2
2-amino-4-dibromomethyl-4,5-dihydro-thiazol-4-ol

Conditions

Conditions	Yield
In acetone for 48h;

: 3475-39-6
1,1,3-tribromoacetone

: 2227-79-4
benzenecarbothioamide

: 4-dibromomethyl-2-phenyl-4,5-dihydro-thiazol-4-ol

Conditions

Conditions	Yield
In acetone for 48h;

: 3475-39-6
1,1,3-tribromoacetone

: 591-08-2
acetylthiourea

: 2-acetylamino-4-dibromomethyl-4,5-dihydro-thiazol-4-ol

Conditions

Conditions	Yield
In acetone for 48h;

: 3475-39-6
1,1,3-tribromoacetone

: 591-08-2
acetylthiourea

: 20949-74-0
2-acetylamino-4-dibromomethyl-4,5-dihydro-thiazol-4-ol; hydrobromide

Conditions

Conditions	Yield
In acetone for 48h;

: 3475-39-6
1,1,3-tribromoacetone

: 58108-00-2
N-(4-amino-benzoyl)-L-aspartic acid

pyrimidinetetrayltetraamine sulfate: pyrimidinetetrayltetraamine sulfate

: 25312-31-6
N-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoyl}-L-aspartic acid

Conditions

Conditions	Yield
in wss.Loesung vom pH 2;

...Expand

: 3475-39-6
1,1,3-tribromoacetone

2,5,6-triamino-3H-pyrimidin-4-one sulfate: 2,5,6-triamino-3H-pyrimidin-4-one sulfate

: 694514-39-1
7-hydroxymethylpterin

Conditions

Conditions	Yield
With ethanol; sodium acetate bei pH 4;

1,1,3-Tribromoacetone Specification

The 1,1,3-Tribromoacetone, with the CAS registry number 3475-39-6, is also known as 2-Propanone, 1,1,3-tribromo-. This chemical's molecular formula is C₃H₃Br₃O and molecular weight is 294.77. Its IUPAC name is called 1,1,3-tribromopropan-2-one.

Physical properties of 1,1,3-Tribromoacetone: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.86; (6)ACD/BCF (pH 7.4): 174.86; (7)ACD/KOC (pH 5.5): 1402.55; (8)ACD/KOC (pH 7.4): 1402.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 39.13 cm³; (14)Molar Volume: 115 cm³; (15)Surface Tension: 52.8 dyne/cm; (16)Density: 2.561 g/cm³; (17)Flash Point: 115.1 °C; (18)Enthalpy of Vaporization: 50.42 kJ/mol; (19)Boiling Point: 266.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00875 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)C(Br)Br)Br
(2)InChI: InChI=1S/C3H3Br3O/c4-1-2(7)3(5)6/h3H,1H2
(3)InChIKey: FNYCCOFOQIUTIM-UHFFFAOYSA-N

Product Name

1,1,3-Tribromoacetone

Synthetic route

1,1,3-Tribromoacetone Specification

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