1-Chloro-5-nitroisoquinoline

HCID 459774CAS 58142-97-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cccc2c(Cl)nccc12
InChIKey
ABMIIJPKPFSMLK-UHFFFAOYSA-N
Molecular formula
C9H5ClN2O2
Average molar mass
208.6 g/mol
Monoisotopic mass
208.00395508

Names & identifiers

Preferred name
1-Chloro-5-nitroisoquinoline
IUPAC
1-chloro-5-nitroisoquinoline
English name
1-chloro-5-nitro-isoquinoline
Molecular formula
C9H5ClN2O2
Molecular weight
208.6

Names & synonyms

1-Chloro-5-nitroisoquinoline58142-97-5DTXSID30332700RefChem:229508DTXCID802837931-chloro-5-nitro-isoquinolineMFCD11052590Isoquinoline, 1-chloro-5-nitro-CL1004AKOS005257902DS-0589SB37785
Show more names
AC-23253SY043271CS-0097914EN300-247823FT-0647198A869518SCHEMBL2379102MFCD110525

Database identifiers

CAS
58142-97-5
PubChem CID
459774
DTXSID
DTXSID30332700
Nikkaji
J3.396.639C

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Melting point
183 · 183-184℃
Boiling point
376.8 · 376.8±27.0 °C(Predicted)
Density
1.484 · 1.484
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
0.22 · 0.22±0.43(Predicted)
Appearance
Light yellow to yellow Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers50 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

Related reactions

20 records
New reaction record

Linked notes

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