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Home > Encyclopedia > 2-Benzothiazoleacetic acid

2-Benzothiazoleacetic acid

2-Benzothiazoleacetic acid structure

2-Benzothiazoleacetic acid 

structure
  • CAS No:

    29182-45-4

  • Formula:

    C9H7NO2S

  • Chemical Name:

    2-Benzothiazoleacetic acid

  • Synonyms:

    2-Benzothiazoleaceticacid(7CI,8CI,9CI);1,3-benzothiazol-2-ylacetic acid;2-Benzothiazoleacetic acid;Benzothiazole-2-acetic acid;2-(benzo[d]thiazol-2-yl)acetic acid;(Benzo[d]thiazol-2-yl)-acetic acid;2-(Carboxymethyl)-1,3-benzothiazole;2-(1,3-benzothiazol-2-yl)acetic acid

2-Benzothiazoleacetic acid Basic Attributes

193.22

193.019745

DTXSID50406917

2934200090

Characteristics

78.4

2.04

1.4±0.1 g/cm3

112-113 °C

380.9±25.0 °C at 760 mmHg

184.1±23.2 °C

1.700

1.76E-06mmHg at 25°C

Safety Information

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 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:193.22
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:193.01974964
Monoisotopic Mass:193.01974964
Topological Polar Surface Area:78.4
Heavy Atom Count:13
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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