2-Bromo-5-chlorothiophene
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2-Bromo-5-chlorothiophene
structure -
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CAS No:
2873-18-9
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Formula:
C4H2BrClS
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Chemical Name:
2-Bromo-5-chlorothiophene
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Synonyms:
Thiophene,2-bromo-5-chloro-;2-Bromo-5-chlorothiophene;5-Bromo-2-chlorothiophene;2-Chloro-5-bromothiophene
- Categories:
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CAS No:
Characteristics
28.2
3.6
COLORLESS TO YELLOW LIQUID
1.803 g/cm3 @ Temp: 25 °C
-20 °C
69.5-70.0 °C @ Press: 18 Torr
185 °F
n20/D 1.596(lit.)
1.46mmHg at 25°C
Safety Information
6.1
NA 1993 / PGIII
3
20/21/22-36/37/38
26-36-24/25
Xn
Harmful
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501
H302
|Warning|H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-5-chlorothiophene Use and Manufacturing
4-(2-chloro-3-thienyl)-benzoic acid Solid Pd(PPh3)4 (11.0 mg, 0.01 mmol) was treated with a room temperature solution of 2-bromo-5-chlorothiophene (143 mg, 0.72 mmol) in DME (4 mL), stirred for 5 minutes, treated with a solution of 4-(dihydroxyboryl)benzoic acid (100 mg, 0.60 mmol) in DME (2 mL), and stirred for 5 minutes. The mixture was treated with 2M Na2CO3 (1.5 mL, 3.0 mmol), heated to 75 C., stirred for 18 hours, cooled to room temperature, filtered, triturated with water (3 mL), and concentrated. The concentrate was treated with boiling water (4 mL), filtered through celite, cooled to room temperature, adjusted to pH<7 with HCl, and filtered to provide the desired product. MS (APCI(+)) m/e 239 (M+H)+.Example 29A 4-(2-chloro-3-thienyl)-benzoic acid Solid Pd(PPh3)4 (11.0 mg, 0.01 mmol) was treated with a room temperature solution of 2-bromo-5-chlorothiophene (143 mg, 0.72 mmol) in DME (4 mL), stirred for 5 minutes, treated with a solution of 4-(dihydroxyboryl)benzoic acid (100 mg, 0.60 mmol) in DME (2 mL), and stirred for 5 minutes. The mixture was treated with 2M Na2CO3 (1.5 mL, 3.0 mmol), heated to 75 C., stirred for 18 hours, cooled to room temperature, filtered, triturated with water (3 mL), and concentrated. The concentrate was treated with boiling water (4 mL), filtered through celite, cooled to room temperature, adjusted to pH<7 with HCl, and filtered to provide the desired product. MS (APCI(+)) m/e 239 (M+H)+.
Computed Properties
Molecular Weight:197.48
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Exact Mass:195.87491
Monoisotopic Mass:195.87491
Topological Polar Surface Area:28.2
Heavy Atom Count:7
Complexity:68.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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