Nitrocyclopentane

HCID 75714
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Basic information

CAS
2562-38-1
Standard SMILES
O=[N+]([O-])C1CCCC1
InChIKey
CJSZWOGCKKDSJG-UHFFFAOYSA-N
Molecular formula
C5H9NO2
Average molar mass
115.13 g/mol
Monoisotopic mass
115.06332853

Names & identifiers

Preferred name
Nitrocyclopentane
IUPAC
nitrocyclopentane
English name
Nitrocyclopentane
Molecular formula
C5H9NO2
Molecular weight
115.13

Names & synonyms

NitrocyclopentaneCyclopentane, nitro-CCRIS 5057EINECS 219-884-6CJSZWOGCKKDSJG-UHFFFAOYSA-DTXSID00180295RefChem:166089DTXCID10102786219-884-6CJSZWOGCKKDSJG-UHFFFAOYSA-NInChI=1/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H22562-38-1
Show more names
nitro-cyclopentan1-NitrocyclopentaneNITROCYCLOPENTANE, 97+%Nitrocyclopentane (NCyP)NITROCYCLOPENTANE ISO 9001：2015 REACH(1S,2S)-Methyl 2-aMinocyclopropanecarboxylate
NitrocyclopentaseMFCD00001362nitro-cyclopentaneNitrocyclopentane, 99%SCHEMBL264764SCHEMBL498638SCHEMBL7184730SCHEMBL8781626

Database identifiers

CAS
2562-38-1
PubChem CID
75714
DTXSID
DTXSID00180295
EC Number
219-884-6
Nikkaji
J109.347I

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
143 · 143-144 °C
Boiling point
180 °C · 180 °C (lit.)
Density
1.086 g/mL · 1.086 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.454(lit.)
Flash point
153 °F · 153 °F
pka
8.46 · 8.46±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (13.3%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
GY4657500
ridadr
2810
hs_code
29042000
risk_code
36/37/38

Chemistry & industry

Applications

UsesNitrocyclopentane, a secondary nitroalkane, was examined for its ability to induce DNA repair in rat hepatocytes. The nitronate of nitrocyclopentane was mutagenic in Salmonella strains TA100 and TA102.

General DescriptionNitrocyclopentane, a secondary nitroalkane, was examined for its ability to induce DNA repair in rat hepatocytes. The nitronate of nitrocyclopentane was mutagenic in Salmonella strains TA100 and TA102.

Preparation methods · 1 item

PreparationBromocyclopentane (22.0 g, 0.15 mol) was added to a soln of NaNO2 (18 g, 0.26 mol) in dry DMSO (100 mL) at 15 ℃ and the mixture was stirred at this temperature for 3 h. The mixture was poured into ice water (250 mL) and extracted with petroleum ether (bp 35-37 ℃; 4 × 50 mL). The combined organic extracts were washed with H2O (4× 50 mL), dried (MgSO4), and concentrated under reduced pressure. The residue was distilled to give Nitrocyclopentane; yield: 9.9 g (58%); bp 62 ℃/8 Torr; nD/20 1.4538. Synthesis of Nitrocyclopentane

Upstream & downstream products

Downstream products

Suppliers19 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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