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5-Nitro-2-indanone

5-Nitro-2-indanone structure

CAS No:
116530-60-0
Formula:
C9H7NO3
Chemical Name:
5-Nitro-2-indanone
Synonyms:
5-NITRO-INDAN-2-ONE;5-NITRO-2-INDANONE;2H-Inden-2-one, 1,3-dihydro-5-nitro-;5-nitro-2,3-dihydro-1H-inden-2-one;5-nitro-1H-inden-2(3H)-one;5-nitro-1,3-dihydroinden-2-one;5-Nitro-2-Indanone(WX625103)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-Nitro-2-indanone Basic Attributes

Molecular Weight：

177.16

Exact Mass：

177.042593085 g/mol

DSSTox ID：

DTXSID80363600

HScode：

2914700090

Characteristics

PSA：

62.89000

XLogP3：

1.78570

Density：

1.396±0.06 g/cm3

Boiling Point：

340.6±42.0 °C(Predicted)

Flash Point：

176ºC

Refractive Index：

1.629

Vapor Pressure：

8.51E-05mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:177.16
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:62.9
Heavy Atom Count:13
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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116530-60-0 5-nitro-1,3-dihydroinden-2-one

CAS No.: 116530-60-0

Grade: Industrial Grade

Content: 95%

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