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Indazole-3-carboxylic acid(CAS No. 4498-67-3)

Indazole-3-carboxylic acid C8H6N2O2 (cas 4498-67-3) Molecular Structure

4498-67-3 Structure

Identification and Related Records

【Name】
Indazole-3-carboxylic acid
【Iupac name】
1H-indazole-3-carboxylic acid
【CAS Registry number】
4498-67-3
【EINECS(EC#)】
224-794-5
【Molecular Formula】
C8H6N2O2 (Products with the same molecular formula)
【Molecular Weight】
162.14544
【Inchi】
InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12)
【InChIKey】
BHXVYTQDWMQVBI-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)C(=NN2)C(=O)O
【MOL File】
4498-67-3.mol

Chemical and Physical Properties

【Appearance】
off-white to yellowish powder
【Density】
1.506 g/cm3
【Melting Point】
266-268℃
【Boiling Point】
443.7 °C at 760 mmHg
【Refractive Index】
1.743
【Flash Point】
222.2 °C
【Water】
SOLVENT
【Solubilities】
SOLVENT
【Color/Form】
beige
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:162.14544 [g/mol]
Molecular Formula:C8H6N2O2
XLogP3-AA:1.4
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:162.042927
MonoIsotopic Mass:162.042927
Topological Polar Surface Area:66
Heavy Atom Count:12
Formal Charge:0
Complexity:196
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S22;S26;S36/37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】
Hazard Codes:Xn,Xi
Risk Statements:22-36-36/37/38
22:Harmful if swallowed
36:Irritating to the eyes
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36/37/39-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
22:Do not breathe dust
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Irritant
【Transport】
OTH
【Specification】

yellow crystal
usageEng:Indole derivatives useful in treatment of pain and inflammation
Safety Statements:26-36/37/39-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
22:Do not breathe dust

Use and Manufacturing

【Usage】
Indole derivatives useful in treatment of pain and inflammation

Biomedical Effects and Toxicity

【Therapeutic Uses】
Indole derivatives useful in treatment of pain and inflammation

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member shijiazhuang guizheng trade co.,ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-312-18103315327
Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52113793
Diamond member Nanjing Bangnuo Biotechnology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-1732-7098554
Diamond member Shanghai Do Chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-33758180
Diamond member FORT ST BIOLOGICAL TECHNOLOGY LIMITED
Country:ChinaChina
Business Type:Trading Company
Telephone:86-311-13263231263
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152

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