2957-95-1

Basic information

• Product Name: CIS-3,4-DICHLOROCYCLOBUTENE
• Synonyms: CIS-3,4-DICHLOROCYCLOBUTENE;(3R)-3β,4β-Dichloro-1-cyclobutene;(3R,4S)-3,4-Dichlorocyclobutene;(3S,4R)-3,4-Dichloro-1-cyclobutene
• CAS NO: 2957-95-1
• Molecular Formula: C₄H₄Cl₂
• Molecular Weight: 122.98
• EINECS: 220-981-0
• Product Categories: Alkenyl;Halogenated Hydrocarbons;Organic Building Blocks
• Mol File: 2957-95-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 74-76 °C55 mm Hg(lit.)
• Flash Point: 55 °C
• Appearance: /
• Density: 1.302 g/mL at 20 °C(lit.)
• Vapor Pressure: 7.13mmHg at 25°C
• Refractive Index: n20/D 1.503
• Storage Temp.: 2-8°C
• CAS DataBase Reference: CIS-3,4-DICHLOROCYCLOBUTENE(CAS DataBase Reference)
• NIST Chemistry Reference: CIS-3,4-DICHLOROCYCLOBUTENE(2957-95-1)
• EPA Substance Registry System: CIS-3,4-DICHLOROCYCLOBUTENE(2957-95-1)

Safety Data

• Hazard Codes: F
• Statements: 10
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• F: 8
• Hazardous Substances Data: 2957-95-1(Hazardous Substances Data)

Usage

Purification Methods

Distil the cyclobutene at 55mm through a 36-in platinum spinning band column, a fore-run b 58-62o/55mm is mainly 1,4-dichlorobutadiene. When the temperature reaches 70o the reflux ratio is reduced to 10:1 and the product is collected quickly. It is usually necessary to apply heat frequently with a sun lamp to prevent any dichlorobutadiene from clogging the exit in the early part of the distillation [Pettit & Henery Org Synth 50 36 1970].

InChI:InChI=1/C4H4Cl2/c5-3-1-2-4(3)6/h1-4H

Upstream product

• 91167-08-7 cis-3.4-Dichlor-7.8-bis-methoxycarbonyl-anti-tricyclo<4.2.2.0^2.5>decadien-(7.9) 

Downstream Products

• 51983-64-3 6c,7c-dichloro-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid ethyl ester 
• 51983-64-3 6t,7t-dichloro-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid ethyl ester 
• 51983-74-5 6c,7c-dichloro-4-(2,4,6-trimethyl-phenyl)-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene 
• 51983-73-4 6c,7c-dichloro-4-(3,5-dichloro-2,4,6-trimethyl-phenyl)-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene 
• 121829-59-2 (1S,4S,5R,6R,7S)-6,7-Dichloro-4-p-tolyl-2,3-diaza-bicyclo[3.2.0]hept-2-ene 
• 121829-57-0 (1S,4S,5R,6R,7S)-6,7-Dichloro-4-(4-chloro-phenyl)-2,3-diaza-bicyclo[3.2.0]hept-2-ene 
• 121829-60-5 (1S,4S,5R,6R,7S)-6,7-Dichloro-4-(4-methoxy-phenyl)-2,3-diaza-bicyclo[3.2.0]hept-2-ene 
• 121829-56-9 (1R,4R,5S,6S,7R)-6,7-Dichloro-4-(2-nitro-phenyl)-2,3-diaza-bicyclo[3.2.0]hept-2-ene 
• 121829-55-8 (1S,4S,5R,6R,7S)-6,7-Dichloro-4-(3-nitro-phenyl)-2,3-diaza-bicyclo[3.2.0]hept-2-ene 
• 121829-58-1 (1R,4R,5S,6S,7R)-6,7-Dichloro-4-(2-chloro-phenyl)-2,3-diaza-bicyclo[3.2.0]hept-2-ene 
• 3588-11-2 cis,cis-1,4-dichloro-1,3-butadiene 
• 3588-13-4 cis,trans-1,4-dichloro-1,3-butadiene 
• 3588-12-3 (E,E)-1,4-dichloro-1,3-butadiene 
• 1192-02-5 trans-3,4-Dichlorocyclobuten 

Relevant articles and documents

Vibrational spectra and assignment for trans-3,4-dichlorocyclobutene. Revised assignment for the cis isomer

A complete assignment of the vibrational fundamentals of trans-3,4-dichlorocyclobutene has been derived from infrared and Raman spectra.These frequencies are: (a) 3107, 2985, 1555, 1283, 1248, 1163, 1126, 1010, 920, 821, 452, 228 and 134 cm-1; (b) 3087, 2998, 1291, 1220, 1171, 956, 889, 782, 606, 327 and 246 cm-1.A long-path, gas-phase infrared spectrum is reported for the cis isomer.After some revisions in the previous assignment of the fundamentals of the cis isomer, notably lowering the ring puckering frequency from 381 to 145 cm-1, good correlations exist between the frequencies for the two isomers and with pertinent modes in cyclobutene itself.

Ein einfacher Weg zu trans-3,4-Dihalocyclobuten

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