Isoquinoline-1-carboxylic Acid
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Product Description
Product
Isoquinoline-1-carboxylic Acid
CAS
486-73-7
Formula
C10H7NO2
Synonym
ISOQUINOLINE-1-CARBOXYLIC ACID; METHYL BORATE-11B; RARECHEM AL BO 1345; TRIMETHOXYBORANE; TRIMETHYL BORATE-11B; 1-ISOQUINOLINECARBOXYLIC ACID; BORON TRIMETHOXIDE; ISOQUINIOLINE-1-CARBOXYLIC ACID
Typical Product Specifications
Molecular weight
173.17
EINECS
207-639-6
InChI
1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChIKey
XAAKCCMYRKZRAK-UHFFFAOYSA-N
Refractive Index
1.358
Melting Point
164 °C (dec.)
BRN Number
129177
Density
0.932 g/mL at 20 °C
Storage Temperature
0-6°C
Merck
13,9784
Boiling Point
68-69 °C
Flash Point
8 °F
Vapor Density
3.59
Molecular weight
164.95
EINECS
204-828-5
SMILES
[Na+].CC(Cl)(Cl)C(=O)[O-]
InChI
PDEFQWNXOUGDJR-UHFFFAOYSA-M
InChIKey
1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+1/p-1
Storage Temperature
+4°C
Molecular weight
122.17
EINECS
207-826-2
SMILES
c1(c(ccc(c1)C)N)N
InChI
1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey
DGRGLKZMKWPMOH-UHFFFAOYSA-N
Stability
Stable. Incompatible with strong oxidizing agents.
Flash Point
155-156°C/18mm
Melting Point
87-89 °C
BRN Number
507965
Boiling Point
155-156 °C18 mm Hg
Water solubility
16 g/L (20 ºC)
Class
Industry
Functions
Isoquinoline-1-carboxylic Acid
Product Description
Product
Isoquinoline-1-carboxylic Acid
CAS
486-73-7
Formula
C10H7NO2
Synonym
ISOQUINOLINE-1-CARBOXYLIC ACID; METHYL BORATE-11B; RARECHEM AL BO 1345; TRIMETHOXYBORANE; TRIMETHYL BORATE-11B; 1-ISOQUINOLINECARBOXYLIC ACID; BORON TRIMETHOXIDE; ISOQUINIOLINE-1-CARBOXYLIC ACID
Typical Product Specifications
Molecular weight
173.17
EINECS
207-639-6
InChI
1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChIKey
XAAKCCMYRKZRAK-UHFFFAOYSA-N
Refractive Index
1.358
Melting Point
164 °C (dec.)
BRN Number
129177
Density
0.932 g/mL at 20 °C
Storage Temperature
0-6°C
Merck
13,9784
Boiling Point
68-69 °C
Flash Point
8 °F
Vapor Density
3.59
Molecular weight
164.95
EINECS
204-828-5
SMILES
[Na+].CC(Cl)(Cl)C(=O)[O-]
InChI
PDEFQWNXOUGDJR-UHFFFAOYSA-M
InChIKey
1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+1/p-1
Storage Temperature
+4°C
Molecular weight
122.17
EINECS
207-826-2
SMILES
c1(c(ccc(c1)C)N)N
InChI
1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey
DGRGLKZMKWPMOH-UHFFFAOYSA-N
Stability
Stable. Incompatible with strong oxidizing agents.
Flash Point
155-156°C/18mm
Melting Point
87-89 °C
BRN Number
507965
Boiling Point
155-156 °C18 mm Hg
Water solubility
16 g/L (20 ºC)
Class
Industry
Functions
