5-Isoquinolinesulfonic acid
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5-Isoquinolinesulfonic acid
structure -
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CAS No:
27655-40-9
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Formula:
C9H7NO3S
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Chemical Name:
5-Isoquinolinesulfonic acid
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Synonyms:
5-Isoquinolinesulfonic acid;NSC 49176
- Categories:
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CAS No:
5-Isoquinolinesulfonic acid Basic Attributes
209.22
209.22
1308068-626-2
49176
DTXSID7074903
2933499090
Safety Information
Ⅲ
8
UN 2585 8/PG 3
1
49-23-34-24-36/38
53-26-27-36/37/39-45
T,C,Xi
Toxic
Stable under normal temperatures and pressures.
P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, P501
H290
|Danger|H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Isoquinolinesulfonic acid Use and Manufacturing
Isoquinoline 1a (47.5 mL, 405 mmol) was slowly added to 22 mL concentrated sulfuric acid, and stirred into small pieces. Add 20g isoquinoline to 300ml fuming sulfuric acid, heat to 120°C, stir for 5 hours, cool to room temperature, Pour slowly into ice water to precipitate a white solid which was filtered, washed with water and dried to give 24 g of 5-sulfonic acid isoquinoline.The synthetic procedure of compound 3i was conducted according to the reported procedures.
5-Isoquinolinesulfonic acid: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:209.22
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:209.01466426
Monoisotopic Mass:209.01466426
Topological Polar Surface Area:75.6
Heavy Atom Count:14
Complexity:296
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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