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CAS No.: | 108-37-2 |
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Name: | 1 -Bromo-3-chloro benzene |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C6H4BrCl |
Molecular Weight: | 191.455 |
Synonyms: | 1-Bromo-3-chlorobenzene;1-Chloro-3-bromobenzene;3-Bromo-1-chlorobenzene;3-Bromophenyl chloride;3-Chloro-1-bromobenzene;3-Chlorobromobenzene;3-Chlorophenyl bromide;NSC 53548;m-Bromochlorobenzene;m-Bromophenyl chloride;m-Chlorobromobenzene; |
EINECS: | 203-575-8 |
Density: | 1.628 g/cm3 |
Melting Point: | -21.5 °C |
Boiling Point: | 194.7 °C at 760 mmHg |
Flash Point: | 80.6 °C |
Solubility: | insoluble in water |
Appearance: | Clear colourless to light yellow liquid |
Hazard Symbols: | Xn; Xi |
Risk Codes: | 36/37/38-20/22 |
Safety: | 26-36-37/39 |
PSA: | 0.00000 |
LogP: | 3.10250 |
Conditions | Yield |
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With dibenzo-18-crown-6; potassium bromide; copper(ll) bromide; 1,10-Phenanthroline; copper(I) bromide In acetonitrile at 20℃; for 0.333333h; Sandmeyer bromination; | 99% |
4-bromo-2-chloroiodobenzene
1-bromo-3-chlorobenzene
Conditions | Yield |
---|---|
With [Ir(2-phenylpyridine)-2-(4,4’-di-tert-butyl-2,2’-bipyridine)]PF6; N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 1.5h; Irradiation; | 92% |
(3-chlorophenyl)(mesityl)iodonium trifluoromethanesulfonate
1-bromo-3-chlorobenzene
Conditions | Yield |
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With copper(I) bromide In acetonitrile at 80℃; for 2h; | 92% |
1-bromo-3-chlorobenzene
Conditions | Yield |
---|---|
In dimethyl sulfoxide Ambient temperature; | 90% |
Conditions | Yield |
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With boron tribromide; dimethyl sulfoxide at 80℃; for 1h; | 90% |
1-bromo-3-chlorobenzene
Conditions | Yield |
---|---|
With tetrabutylammomium bromide In acetonitrile at 60℃; for 0.75h; Substitution; | 75% |
With tetrabutylammomium bromide; copper In acetonitrile at 20℃; for 0.75h; Substitution; | 71% |
1-bromo-3-chlorobenzene
Conditions | Yield |
---|---|
With N-benzyl-N,N,N-triethylammonium chloride; copper In acetonitrile at 20℃; Substitution; | 74% |
3-chlorophenylboronic acid
1-bromo-3-chlorobenzene
Conditions | Yield |
---|---|
With N-Bromosuccinimide In acetonitrile at 81℃; for 8h; | 59% |
Conditions | Yield |
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With bromine trifluoride; bromine at 0 - 10℃; | A 25% B 5% |
2-(3-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-bromo-3-chlorobenzene
Conditions | Yield |
---|---|
With copper(ll) bromide In methanol Heating; | 24% |
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The Benzene,1-bromo-3-chloro-, with CAS registry number 108-37-2, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Bromine Compounds; (3)Chlorine Compounds; (4)Aryl; (5)C6; (6)Halogenated Hydrocarbons. It has the systematic name of 1-bromo-3-chlorobenzene. This chemical is a kind of clear colourless to light yellow liquid. The main use of this chemical is for organic synthesis.
Physical properties of Benzene,1-bromo-3-chloro-: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 286.19; (6)ACD/BCF (pH 7.4): 286.19; (7)ACD/KOC (pH 5.5): 1995.61; (8)ACD/KOC (pH 7.4): 1995.61; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 38.83 cm3; (15)Molar Volume: 117.5 cm3; (16)Polarizability: 15.39×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Enthalpy of Vaporization: 41.33 kJ/mol; (19)Vapour Pressure: 0.609 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce 2-bromo-6-chloro-benzoic acid. This reaction will need reagents 2,2,6,6-tetramethylpiperidine, butyllithium and solvents tetrahydrofuran, hexane. The reaction time is 2 hour(s) with reaction temperature of -75 ℃ ℃. The yield is about 94%.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-3-chloro- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation and harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Br)ccc1
(2)InChI: InChI=1/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
(3)InChIKey: JRGGUPZKKTVKOV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
(5)Std. InChIKey: JRGGUPZKKTVKOV-UHFFFAOYSA-N