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Home > Encyclopedia > 2-Nitro-1,3-benzenedicarboxylic acid

2-Nitro-1,3-benzenedicarboxylic acid

2-Nitro-1,3-benzenedicarboxylic acid structure

2-Nitro-1,3-benzenedicarboxylic acid 

structure
  • CAS No:

    21161-11-5

  • Formula:

    C8H5NO6

  • Chemical Name:

    2-Nitro-1,3-benzenedicarboxylic acid

  • Synonyms:

    1,3-Benzenedicarboxylic acid,2-nitro-;2-Nitro-1,3-benzenedicarboxylic acid;2-Nitroisophthalic acid;3-Carboxy-2-nitrobenzoic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Nitro-1,3-benzenedicarboxylic acid Basic Attributes

211.12800

211.13

244-253-7

DTXSID30175396

2917399090

Characteristics

120.42000

1.51440

1.671g/cm3

300 °C

473.7ºC

214ºC

1.66

0.01 M

8.83E-10mmHg at 25°C

Safety Information

S26; S36

|Warning|H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:211.13
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:211.01168688
Monoisotopic Mass:211.01168688
Topological Polar Surface Area:120
Heavy Atom Count:15
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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