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CAS Number: 54223-20-0
1-(benzo[d]thiazol-2-yl)-2-bromoethanone

Structure

 1-(benzo[d]thiazol-2-yl)-2-bromoethanone
Name: 1-(benzo[d]thiazol-2-yl)-2-bromoethanone
Synonyms:
General Information
Product Number: 54223200

CAS Registry Number 54223-20-0
Name:
Ethanone, 1-?(2-?benzothiazolyl)?-?2-?bromo-
Ketone, 2-benzothiazolyl bromomethyl (6CI)
1-(1,3-Benzothiazol-2-yl)-2-bromoethanone
1-(Benzo[d]thiazol-2-yl)-2-bromoethanone
1-(Benzothiazol-2-yl)-2-bromoethanone
2-(Bromoacetyl)benzothiazole

 

Chemical Formula: C9H6BrNOS
Exact Mass: 254.94
Molecular Weight: 256.12
m/z: 256.93 (100.0%), 254.94 (98.2%), 255.94 (9.7%), 257.94 (9.4%), 258.93 (4.4%), 257.93 (1.6%), 255.93 (1.1%)

 

InChI:InChI=1S/C9H6BrNOS/c10-5-7(12)9-11-6-3-1-2-4-8(6)13-9/h1-4H,5H2

InChI Key:AYWGYNKWZWBMSV-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)N=C(S2)C(=O)CBr

 

Thermal Properties Value Condition Note
Melting Point 193 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 86-89 °C Solv: hexane (110-54-3) (2)IC
Melting Point 75 °C   (3)CAS

Specification

98%
References
  1. (1) Podea, Paula Veronica; Tetrahedron: Asymmetry 2008, V19(16), P1959-1964 CAPLUS
  2. (2) Nagarajan, K.; Indian Journal of Pharmaceutical Sciences 1986, V48(6), P165-8 CAPLUS
  3. (3) Thomas, K. K.; Acta Ciencia Indica, Chemistry 2007, V33(4), P523-528 CAPLUS
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