2,1,3-Benzothiadiazole-5-carboxylic acid
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2,1,3-Benzothiadiazole-5-carboxylic acid
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CAS No:
16405-98-4
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Formula:
C7H4N2O2S
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Chemical Name:
2,1,3-Benzothiadiazole-5-carboxylic acid
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Synonyms:
TIMTEC-BB SBB007390;RARECHEM AL BE 1094;1,2,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID;2,1,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID;BENZO-2,1,3-THIADIAZOLE-5-CARBOXYLIC ACID;BENZO-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID;BENZO[1,2,5]THIADIAZOLE-5-CARBOXYLIC ACID;BUTTPARK 46\04-59
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CAS No:
2,1,3-Benzothiadiazole-5-carboxylic acid Basic Attributes
180.18
179.999344
DTXSID80345128
2934999090
Characteristics
91.3
1.66
1.608±0.06 g/cm3(Predicted)
229 °C
368.7±15.0 °C(Predicted)
176.8±20.4 °C
1.749
Safety Information
IRRITANT
36/37/38-41-37/38
26-36/37/39-24/25-39
Xi
Irritant
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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:180.19
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:179.99934855
Monoisotopic Mass:179.99934855
Topological Polar Surface Area:91.3
Heavy Atom Count:12
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,1,3-Benzothiadiazole-5-carboxylic acid
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