Basic information
- CAS
39061-97-7- Standard SMILES
O=[N+]([O-])c1cnc2ccccc2c1Cl- InChIKey
ZRFUZDDJSQVQBY-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.00395508
Names & identifiers
- Preferred name
- 4-Chloro-3-nitroquinoline
- IUPAC
- 4-chloro-3-nitroquinoline
- English name
- 4-Chloro-3-nitroquinoline
- Molecular formula
- C9H5ClN2O2
- Molecular weight
- 208.6
Names & synonyms
4-Chloro-3-nitroquinoline39061-97-7DTXSID60460883RefChem:291689DTXCID90411702852-888-14-chloro-3-nitro-quinoline3-nitro-4-chloroquinolineMFCD07369246Quinoline, 4-chloro-3-nitro-4chloro-3-nitroquinoline4-Chlor-3-nitrochinolin
Show more names
4-Chloro-3-nitroqulinoline4-Chloro-3-nitroquinoline ,98%4-Chloro-3-nitroquinoline ISO 9001：2015 REACH
SCHEMBL2026634-chlo4-Chloro-3-Nitro Quinolineorb1908100SCHEMBL29381779TNU0902ZRFUZDDJSQVQBY-UHFFFAOYSA-NSBB069205
Database identifiers
- CAS
39061-97-7- PubChem CID
- 11275808
- DTXSID
DTXSID60460883- EC Number
- 852-888-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 121 · 121-122°C
- Boiling point
- 333.8 · 333.8±22.0 °C(Predicted)
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -0.28 · -0.28±0.24(Predicted)
- color
- Pale Yellow
- InChI
- InChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H
- InChIKey
- ZRFUZDDJSQVQBY-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C(Cl)=C([N+]([O-])=O)C=1
- CAS DataBase Reference
- 39061 · 39061-97-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- hs_code
- 29334900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-3-nitroquinoline (cas# 39061-97-7) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
269 records
Compound notes
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