6-Chloro-5-nitroquinoline

HCID 4070800CAS 86984-32-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1c(Cl)ccc2ncccc12
InChIKey: GIMHFTJFCRTQRS-UHFFFAOYSA-N
Molecular formula: C9H5ClN2O2
Average molar mass: 208.6 g/mol
Monoisotopic mass: 208.0039551

Names & identifiers

Preferred name: 6-Chloro-5-nitroquinoline
IUPAC: 6-chloro-5-nitroquinoline
English name: 6-Chloro-5-nitroquinoline
Molecular formula: C9H5ClN2O2
Molecular weight: 208.6

Names & synonyms

6-chloro-5-nitroquinoline86984-32-9Quinoline, 6-chloro-5-nitro-DTXSID00398999RefChem:104411DTXCID30349858660-340-6GIMHFTJFCRTQRS-UHFFFAOYSA-NMFCD000936165-Nitro-6-chloroquinoline5-nitro-6-chloro-quinolineSCHEMBL2004290

Show more names

6-Chloro-5-nitroquinoline 98%6-CHLORO-5-NITROQUINOLINE ISO 9001：2015 REACH

AKOS005259257DS-0520CS-0100662Z432085074AM20070172FT-0649605A23246SB71547

Database identifiers

CAS: 86984-32-9
PubChem CID: 4070800
DTXSID: DTXSID00398999
EC Number: 660-340-6
Nikkaji: J1.077.990A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 231

Physicochemical properties

Boiling point: 356.7 · 356.7±27.0 °C(Predicted)
Density: 1.484 · 1.484±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.02 · 2.02±0.15(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 335 · H335-H318-H301-H315
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (97.4%)；STOT SE 3 (100%)

Safety data

hs_code: 2933998090
Signal word: Danger
Symbol(GHS): GHS05,GHS06
Hazard statements: H335-H318-H301-H315
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362