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Home > Encyclopedia > 1,3-Benzodioxole-5-acetic acid

1,3-Benzodioxole-5-acetic acid

1,3-Benzodioxole-5-acetic acid structure

1,3-Benzodioxole-5-acetic acid 

structure
  • CAS No:

    2861-28-1

  • Formula:

    C9H8O4

  • Chemical Name:

    1,3-Benzodioxole-5-acetic acid

  • Synonyms:

    1,3-Benzodioxole-5-acetic acid;Acetic acid,[3,4-(methylenedioxy)phenyl]-;Homopiperonylic acid;3,4-(Methylenedioxy)benzene-1-acetic acid;Piperonylacetic acid;(3,4-Methylenedioxy)phenylacetic acid;(1,3-Benzodioxol-5-yl)acetic acid;2-(1,3-Benzodioxol-5-yl)acetic acid;2-(3,4-Methylenedioxyphenyl)acetic acid;NSC 119057;NSC 14364;(Benzodioxol-5-yl)acetic acid;2-(Benzo[d][1,3]dioxol-5-yl)acetic acid;2-(Benzodioxol-5-yl)acetic acid;2-(1,3-Dioxaindan-5-yl)acetic acid;2-(2H-1,3-Benzodioxol-5-yl)acetic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

BEIGE TO PALE YELLOW MICRO-CRYSTALLINE POWDER

1,3-Benzodioxole-5-acetic acid Basic Attributes

180.16

180.16

177739

220-679-9

14364

DTXSID80182792

2932999099

Characteristics

55.8

1.37

Beite to pale yellow Micro-Crystalline Powder

1.4±0.1 g/cm3

128 °C

87 °C @ Press: 0.05 Torr

142.4±12.8 °C

1.595

soluble in water (partly), ethanol, and methanol.

3.29E-05mmHg at 25°C

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

26-36

Xi

Irritant

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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:55.8
Heavy Atom Count:13
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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