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Home > Encyclopedia > 1-(4-Nitrophenyl)-1,2-propanedione

1-(4-Nitrophenyl)-1,2-propanedione

1-(4-Nitrophenyl)-1,2-propanedione structure

1-(4-Nitrophenyl)-1,2-propanedione 

structure
  • CAS No:

    6159-25-7

  • Formula:

    C9H7NO4

  • Chemical Name:

    1-(4-Nitrophenyl)-1,2-propanedione

  • Synonyms:

    LABOTEST-BB LT00645353;4-(2-Oxopropanoyl)nitrobenzene;1-(4-NITROPHENYL)-1,2-PROPANDIONE;1-(4-NITROPHENYL)PROPANE-1,2-DIONE;1-(4-NITROPHENYL)-1,2-PROPANEDIONE

1-(4-Nitrophenyl)-1,2-propanedione Basic Attributes

193.15600

193.03800

65586

2914700090

Characteristics

79.96000

1.88970

clear pale yellow oil

1.319 g/cm3

86-88ºC

341.6ºC at 760 mmHg

170.5ºC

1.517

Safety Information

Xi

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:193.16
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:193.03750770
Monoisotopic Mass:193.03750770
Topological Polar Surface Area:80
Heavy Atom Count:14
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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