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CAS Number: 35674-20-5
4-(4-bromophenyl)butanoic acid

Structure

4-(4-bromophenyl)butanoic acid
Name: 4-(4-bromophenyl)butanoic acid
Synonyms:
General Information
Product Number: 35674205

CAS Registry Number 35656-89-4
Name:
Benzenebutanoic acid, 4-?bromo-
Butyric acid, 4-(p-bromophenyl)- (7CI)
4-Bromobenzenebutanoic acid
4-(4-Bromophenyl)butanoic acid
4-(p-Bromophenyl)butyric acid
NSC 74918

 

Chemical Formula: C10H11BrO2
Exact Mass: 241.99
Molecular Weight: 243.10
m/z: 241.99 (100.0%), 243.99 (97.3%), 243.00 (11.0%), 245.00 (10.8%)

 

InChI:InChI=1S/C7H4I2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

InChI Key:DFYULHRIYLAUJM-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1C(=O)O)I)I

 

Thermal Properties Value Condition Note
Boiling Point 185-190 °C Press: 1.5 Torr (1)IC
Boiling Point 175-176 °C Press: 3 Torr (2)CAS
Melting Point 83-86 °C   (1)IC
Melting Point 72 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (4)CAS
Melting Point 71-72 °C   (2)CAS
Melting Point 68-70 °C   (8)CAS
Melting Point 62.2 °C Solv: heptane (142-82-5) (3)CAS

Specification

98%

References
  1. (1) Mathur, Naresh C.; Tetrahedron 1985, V41(8), P1509-16 CAPLUS
  2. (2) Fieser, Louis F.; Journal of the American Chemical Society 1938, V60, P170-6 CAPLUS
  3. (3) Chackal-Catoen, Sarah; Bioorganic & Medicinal Chemistry 2006, V14(22), P7434-7445 CAPLUS
  4. (4) Alvarez, Susana; Bioorganic & Medicinal Chemistry 2009, V17(13), P4345-4359 CAPLUS
  5. (8) Newman, Melvin S.; Journal of Organic Chemistry 1962, V27, P76-8 CAPLUS
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