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CAS Number: 3457-66-7
3-bromoazepan-2-one

Structure

3-bromoazepan-2-one
Name: 3-bromoazepan-2-one
Synonyms:
General Information
Product Number: 3457667

CAS Registry Number 3457-66-7
Name:
2H-​Azepin-​2-​one, 3-​bromohexahydro-
α-Bromocaprolactam

 

Chemical Formula: C6H10BrNO
Exact Mass: 190.99
Molecular Weight: 192.05
m/z: 190.99 (100.0%), 192.99 (97.3%), 192.00 (6.6%), 194.00 (6.5%)

 

InChI:InChI=1S/C6H10BrNO/c7-5-3-1-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)

InChI Key:ZOGNPJHCXKAYAJ-UHFFFAOYSA-N

Canonical SMILES:C1CCNC(=O)C(C1)Br

 

Thermal Properties Value Condition Note
Melting Point 133-135 °C   (2)CAS
Melting Point 113-115 °C   (3)CAS
Melting Point 113-115 °C   (4)CAS
Melting Point 112-114 °C   (5)CAS
Melting Point 112-113 °C Solv: benzene (71-43-2); ligroine (8032-32-4) (2)CAS
Melting Point 111-112 °C   (6)CAS
Melting Point 110-111 °C   (2)CAS

Specification

98%

References
  1. (2) Francis, William C.; Journal of the American Chemical Society 1958, V80, P6238-44 CAPLUS
  2. (3) Hopkins, Thomas R.; US 2832770 1958 CAPLUS
  3. (4) Wineman, Robert J.; Journal of the American Chemical Society 1958, V80, P6233-37 CAPLUS
  4. (5) Francis, Wm. C.; US 2832768 1958 CAPLUS
  5. (6) Ottenheym, Johannes H.; DE 1154118 1963 CAPLUS
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