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CAS Number: 6781-42-6
1,1'-(1,3-phenylene)diethanone

Structure

1,1'-(1,3-phenylene)diethanone
Name: 1,1'-(1,3-phenylene)diethanone
Synonyms:
General Information
Product Number: 6781426

CAS Registry Number 6781-42-6
Name:
Ethanone, 1,​1'-​(1,​3-​phenylene)​bis-
Benzene, m-diacetyl- (6CI,7CI,8CI)
1,1'-(1,3-Phenylene)bis[ethanone]
1,3-Bis(1-oxoethyl)benzene
1,3-Diacetylbenzene
1-(3-Acetylphenyl)ethanone

 

Chemical Formula: C10H10O2
Exact Mass: 162.07
Molecular Weight: 162.19
m/z: 162.07 (100.0%), 163.07 (11.0%)

 

InChI:InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3

InChI Key:VCHOFVSNWYPAEF-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 152-160 °C Press: 13 Torr (1)CAS
Boiling Point 152 °C   (2)SRC
Boiling Point 150-160 °C Press: 15 Torr (3)CAS
Boiling Point 148-153 °C Press: 15 Torr (4)IC
Melting Point 206 °C   (1)CAS
Melting Point 32 °C   (16)CAS

Specification

98%

References
  1. (1) Bongard, Wilhelm; DE 951361 1956 CAPLUS
  2. (2) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  3. (3) Krimm, Heinrich; DE 1242206 1967 CAPLUS
  4. (4) Staroverov, V. M.; Zhurnal Organicheskoi Khimii 1975, V11(11), P2442-3 CAPLUS
  5. (16) Ruggli, Paul; Helvetica Chimica Acta 1936, V19, P962-72 CAPLUS
  6. (17) Ruggli, Paul; Helvetica Chimica Acta 1939, V22, P496-511 CAPLUS
  7. (18) Khcheyan, Kh. E.; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation) 1962, V35, P206-9 CAPLUS
  8. (19) Deuchert, Klaus; Chemische Berichte 1979, V112(6), P2045-61 CAPLUS
  9. (20) BE 672093 1966 CAPLUS
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