Isoquinoline-5-sulfonyl Chloride Hydrochloride - CAS 105627-79-0
Catalog: |
BB001679 |
Product Name: |
Isoquinoline-5-sulfonyl Chloride Hydrochloride |
CAS: |
105627-79-0 |
Synonyms: |
5-isoquinolinesulfonyl chloride;hydrochloride; isoquinoline-5-sulfonyl chloride;hydrochloride |
IUPAC Name: | isoquinoline-5-sulfonyl chloride;hydrochloride |
Description: | Isoquinoline-5-sulfonyl Chloride Hydrochloride (CAS# 105627-79-0) is a compound useful in organic synthesis. |
Molecular Weight: | 264.13 |
Molecular Formula: | C9H7Cl2NO2S |
Canonical SMILES: | C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl |
InChI: | InChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6H;1H |
InChI Key: | GZQNTWHQJJVIAK-UHFFFAOYSA-N |
MDL: | MFCD08272853 |
LogP: | 4.04510 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113372329-A | Preparation method of fasudil hydrochloride compound | 20210615 |
CN-111303120-A | Preparation method of fasudil hydrochloride | 20200314 |
CN-113358759-A | Method for detecting related substances in fasudil hydrochloride starting material | 20200305 |
CN-113358761-A | Detection method of 5-isoquinoline sulfonic acid | 20200305 |
CN-113358762-A | Method for detecting related substances in 5-isoquinoline sulfonyl chloride hydrochloride | 20200305 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.9574550 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.9574550 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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