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| CAS No.: | 3475-39-6 |
|---|---|
| Name: | 1,1,3-Tribromoacetone |
| Molecular Structure: | |
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| Formula: | C3H3Br3O |
| Molecular Weight: | 294.768 |
| Synonyms: | 1,1,3-Tribromo-2-propanone;1,1,3-Tribromoacetone;NSC 233916; |
| Density: | 2.561 g/cm3 |
| Melting Point: | 28-29 °C |
| Boiling Point: | 266.2 °C at 760 mmHg |
| Flash Point: | 115.1 °C |
| PSA: | 17.07000 |
| LogP: | 2.06630 |
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- 852475-26-4MC1568
| 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 | Yield |
|---|---|
| With bromine In tetrachloromethane; acetonitrile Ambient temperature; | A 88% B n/a C n/a |
- 62012-16-2
(trimethylsilyl)cyclopropanone
A
- 2857-97-8
trimethylsilyl bromide
B
- 3475-39-6
1,1,3-tribromoacetone
| 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 | Yield |
|---|---|
| With bromine In tetrachloromethane; acetonitrile Ambient temperature; | A 2% B n/a C n/a D 68% |
| Conditions | Yield |
|---|---|
| With bromine; acetic acid |
| 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 | Yield |
|---|---|
| bei der Bromierung; |
- 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 | Yield |
|---|---|
| beim Bromieren; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; bromine |
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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