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5-Nitroindole(CAS No. 6146-52-7)

5-Nitroindole C8H6N2O2 (cas 6146-52-7) Molecular Structure

6146-52-7 Structure

Identification and Related Records

【Name】
5-Nitroindole
【Iupac name】
5-nitro-1H-indole
【CAS Registry number】
6146-52-7
【Synonyms】
1H-Indole, 5-nitro-
5-Nitro-1H-indole
1H-Indole, 5-nitro- (9CI)
【EINECS(EC#)】
228-153-0
【Molecular Formula】
C8H6N2O2 (Products with the same molecular formula)
【Molecular Weight】
162.15
【Inchi】
InChI=1/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H
【Canonical SMILES】
C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]
【MOL File】
6146-52-7.mol

Chemical and Physical Properties

【Appearance】
yellow powder
【Density】
1.425 g/cm3
【Melting Point】
140-143℃
【Boiling Point】
362.6 °C at 760 mmHg
【Refractive Index】
1.723
【Flash Point】
173.1 °C
【Solubilities】
Appearance:yellow powder
Transport Information:25kgs
Hazard Symbols:
particular:particular
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:162.14544 [g/mol]
Molecular Formula:C8H6N2O2
XLogP3:2.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:162.042927
MonoIsotopic Mass:162.042927
Topological Polar Surface Area:61.6
Heavy Atom Count:12
Formal Charge:0
Complexity:190
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:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22
【Safety Statements 】
S36/37;S45
【HazardClass】
IRRITANT, IRRITANT-HARMFUL
【Hazard Note】

Irritant

【Transport】
25kgs

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 Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
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Telephone:0086-27-59207850
Diamond member Shanghai Do Chemical Co.,Ltd
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Telephone:86-21-33758180
Diamond member AOPHARM
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Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Hui Chem Company Limited
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Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837

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