Pyrindan

HCID 68292CAS 533-37-9
Substructure searchFind similar structures

Basic information

Standard SMILES
c1cnc2c(c1)CCC2
InChIKey
KRNSYSYRLQDHDK-UHFFFAOYSA-N
Molecular formula
C8H9N
Average molar mass
119.16 g/mol
Monoisotopic mass
119.07349929

Overview

structure in first source

Names & identifiers

Preferred name
Pyrindan
IUPAC
6,7-dihydro-5H-cyclopenta[b]pyridine
English name
Cyclopenta[b]pyridine
Molecular formula
C8H9N
Molecular weight
119.16

Names & synonyms

2,3-Cyclopentenopyridine533-37-96,7-Dihydro-5H-cyclopenta[b]pyridinePyrindan5H-1-Pyrindine, 6,7-dihydro-6,7-Dihydro-5H-cyclopenta(b)pyridine5H-cyclopenta[b]pyridine, 6,7-dihydro-6,7-dihydro-5H-[1]pyrindineEINECS 208-564-118Z19A103WDTXSID702014466,7-DIHYDRO-5H-PYRINDINE
Show more names
1-pyrindan7-AzaindaneCyclopentenopyridineyclopenta[b]pyridine2,3-CYCLOPENTAPYRIDINE3-Cyclopentenopyridine2,3-CYDOPENTENO PYRIDINE1H-cyclopenta[b]pyridine
6,7-DIHYDRO-5H-(1)PYRINDINE5H-CYCLOPENTA(B)PYRIDINE, 6,7-DIHYDRO-RefChem:870965DTXCID701239376,7Dihydro5Hcyclopenta(b)pyridine208-564-1InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5HCyclopenta[b]pyridine

Database identifiers

CAS
533-37-9
PubChem CID
68292
DTXSID
DTXSID70201446
UNII
18Z19A103W
EC Number
208-564-1
Nikkaji
J147.225I

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionDark brown liquid; [Aldrich MSDS]

Physicochemical properties

Melting point
117 °C · 117 °C
Boiling point
87 · 87-88 °C/11 mmHg (lit.)
Density
1.018 g/mL · 1.018 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.544(lit.)
Flash point
153 °F · 153 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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

Regulatory InformationChemical: 5H-1-Pyrindine, 6,7-dihydro-
Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS] See Pyridine.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29333990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2,3-Cyclopentenopyridine is used as reactant/reagent for ruthenium-mediated dual catalytic reactions of isoquinoline via C-H activation and dearomatization for isoquinolone.

General DescriptionThe structural properties of 2,3-cyclopentenopyridine using spectroscopic and computational techniques have been studied. 2,3-Cyclopentenopyridine is present in the side chain of cefpirome (HR 810), a new cephalosporin.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

7 records
New reaction record

Linked notes

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