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3-Nitropentane

3-Nitropentane structure

3-Nitropentane 

structure
  • CAS No:

    551-88-2

  • Formula:

    C5H11NO2

  • Chemical Name:

    3-Nitropentane

  • Synonyms:

    Pentane,3-nitro-;3-Nitropentane

3-Nitropentane Basic Attributes

117.148

117.15

3DB5UCN3UM

DTXSID2020979

Characteristics

45.8

1.8

0.939 g/cm3 @ Temp: 25 °C

24.33°C (estimate)

90 °C @ Press: 100 Torr

1.3g/L(25 ºC)

Safety Information

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

3-Nitropentane

Computed Properties

Molecular Weight:117.15
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:45.8
Heavy Atom Count:8
Complexity:73
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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