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1-Nitrocyclohexene

1-Nitrocyclohexene structure

CAS No:
2562-37-0
Formula:
C6H9NO2
Chemical Name:
1-Nitrocyclohexene
Synonyms:
Cyclohexene,1-nitro-;1-Nitrocyclohexene;1-Nitrocyclohex-1-ene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

ChEBI: A C-nitro compound that is cyclohexene substituted at position 1 by a nitro group.

1-nitrocyclohexene is a C-nitro compound that is cyclohexene substituted at position 1 by a nitro group. It is a C-nitro compound and a carbocyclic compound.

1-Nitrocyclohexene Basic Attributes

Molecular Weight：

127.14

Exact Mass：

127.14

EC Number：

219-883-0

DSSTox ID：

DTXSID40180294

HScode：

2904209090

Characteristics

PSA：

45.8

XLogP3：

2.24420

Density：

1.1267 g/cm³ @ Temp: 20 °C

Boiling Point：

66.5-68.0 °C @ Press: 1.5 Torr

Flash Point：

79 °C

Refractive Index：

n20/D 1.505(lit.)

Storage Conditions：

2-8°C

OH：

4.37e-11 cm3/molecule*sec

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2810

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:127.14
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:127.063328530
Monoisotopic Mass:127.063328530
Topological Polar Surface Area:45.8
Heavy Atom Count:9
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2562-37-0

Grade: Industrial Grade

Content: 99%

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