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Quinaldic acid

Quinaldic acid structure

CAS No:
93-10-7
Formula:
C10H7NO2
Chemical Name:
Quinaldic acid
Synonyms:
2-Quinolinecarboxylic acid;Quinaldic acid;Quinaldinic acid;2-Carboxyquinoline;2-Quinolinylcarboxylic acid;NSC 4882;Quinolin-2-carboxylic acid;2-Quinolinic acid;1580002-30-7
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

light brown needle-like crystalline powder

Solid

Quinaldic acid is a quinolinemonocarboxylic acid having the carboxy group at the 2-position. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a quinaldate.

Quinaldic acid Basic Attributes

Molecular Weight：

173.17

Exact Mass：

173.17

BRN：

126322

EC Number：

202-218-3

UNII：

P90NWT719R

NSC Number：

4882

DSSTox ID：

DTXSID6059079

HScode：

2933499090

Characteristics

PSA：

50.2

XLogP3：

1.6

Appearance：

Light brown Needle-Like Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

156 °C

Boiling Point：

247-250

Flash Point：

164.7±20.9 °C

Refractive Index：

1.685

Water Solubility：

H2O: soluble

Storage Conditions：

Store below +30°C.

Collision Cross Section：

132 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|132.3 Å² [M+H]+

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-23/24/25

safety instructions：

26-36-37/39-45-36/37/39

RTECS Number：

UZ9100000

Marks：

Xi,T

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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 52 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

quinaldic acid

Quinaldic acid Use and Manufacturing

Uses

For the determination of copper, zinc and uranium with which it forms insoluble salts.

Manufacturing Info：

2-Quinolinecarboxylic acid: ACTIVE

Computed Properties

Molecular Weight:173.17
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.047678466
Monoisotopic Mass:173.047678466
Topological Polar Surface Area:50.2
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Quinaldic acid

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
4 YRS

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Quinaldic acid

CAS No.: 93-10-7

Grade: Industrial Grade

Content: 99%

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