Isoquinoline-3-carboxylic Acid Hydrate

Base Information

• Chemical Name: Isoquinoline-3-carboxylic Acid Hydrate
• CAS No.: 207399-25-5
• Molecular Formula: C10H7NO2 . x H2O
• Molecular Weight: 191.18
• European Community (EC) Number: 622-004-7,678-560-6
• DSSTox Substance ID: DTXSID60371541
• Mol file: 207399-25-5.mol

Synonyms:Isoquinoline-3-carboxylic Acid Hydrate;203626-75-9;207399-25-5;3-Isoquinolinecarboxylic acid hydrate;Isoquinoline-3-carboxylic acid monohydrate;3-Isoquinolinecarboxylic acid, hydrate (1:1);isoquinoline-3-carboxylic acid;hydrate;Isoquinoline-3-carboxylic acid hydrate(1:x);3-Isoquinolinecarboxylic acid, hydrate;MFCD00167216;3-Isoquinolinecarboxylic acid hydrate (1:1);AKOS BB-8838;SCHEMBL1201320;HMS548F13;DTXSID60371541;IXFLTVWYYQIVRB-UHFFFAOYSA-N;3-IsoquinolinecarboxylicAcidHydrate;3-Isoquinolinecarboxylicacid hydrate;BCP05776;AC7621;AKOS015901772;isoquinoline 3-carboxylic acid hydrate;isoquinoline-3-carboxylic acid,hydrate;DS-0936;AM807345;SY014652;SY048006;3-Isoquinolinecarboxylic acid hydrate, 99%;CS-0031353;FT-0627510;FT-0627511;A814490;A814853;n-(2-chloroethyl)-n-[2-(2-pyridinyl)ethyl]urea;J-650284;W-206552;F2191-0015;isoquinoline-3-carboxylate;3-Isoquinolinecarboxylic Acid Hydrate

Chemical Property of Isoquinoline-3-carboxylic Acid Hydrate

Chemical Property:

• Vapor Pressure: 5.15E-06mmHg at 25°C
• Melting Point: 166-168 °C(lit.)
• Boiling Point: 366.4°C at 760 mmHg
• Flash Point: 175.4°C
• PSA: 59.42000
• LogP: 1.86870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Isoquinolinecarboxylic acid hydrate 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C=NC(=CC2=C1)C(=O)O.O
• Uses: 3-Isoquinolinecarboxylic acid hydrate may be used in chemical synthesis.