3-Thiophenecarboxylic acid
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3-Thiophenecarboxylic acid
structure -
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CAS No:
88-13-1
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Formula:
C5H4O2S
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Chemical Name:
3-Thiophenecarboxylic acid
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Synonyms:
3-Thiophenecarboxylic acid;3-Thenoic acid;β-Thiophenecarboxylic acid;β-Thiophenic acid;3-Thienylcarboxylic acid;3-Carboxythiophene;NSC 66314;Thiophene-3-carboxylic acid;2244576-84-7
- Categories:
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CAS No:
3-Thiophenecarboxylic acid Basic Attributes
128.15
128.15
1994
201-802-5
6V3012Q6BE
66314
DTXSID40236745
29349990
Characteristics
65.5
1.5
White to slightly yellow Crystalline Powder
1.4±0.1 g/cm3
138 °C
271°C at 760 mmHg
117.8±19.8 °C
1.607
H2O: 4.3 g/L (25 ºC)
Refrigerated.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25-37/39-26-36
XM8330300
Xi
Irritant
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 9 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:128.15
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:127.99320054
Monoisotopic Mass:127.99320054
Topological Polar Surface Area:65.5
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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