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Home > Encyclopedia > 1,3,5-Benzenetriacetic acid

1,3,5-Benzenetriacetic acid

1,3,5-Benzenetriacetic acid structure

1,3,5-Benzenetriacetic acid 

structure
  • CAS No:

    4435-67-0

  • Formula:

    C12H12O6

  • Chemical Name:

    1,3,5-Benzenetriacetic acid

  • Synonyms:

    1,3,5-Benzenetriacetic acid;s-Phenenyltriacetic acid;(3,5-Bis-carboxymethylphenyl)acetic acid;NSC 408182;2,2′,2′′-(Benzene-1,3,5-triyl)triacetic acid;2,2′,2′′-(Benzene-1,3,5-triyl)triaceticacid

  • Categories:

    Organic Chemistry  >  Heterocyclic Ring

1,3,5-Benzenetriacetic acid Basic Attributes

252.22

252.22

408182

DTXSID60325009

2917399090

Characteristics

111.90000

0.56790

1.468g/cm3

197-204 °C

534.2ºC at 760mmHg

291ºC

1.61

Safety Information

NONH for all modes of transport

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

benzene-1,3,5-triacetic acid

Computed Properties

Molecular Weight:252.22
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:252.06338810
Monoisotopic Mass:252.06338810
Topological Polar Surface Area:112
Heavy Atom Count:18
Complexity:273
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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