Phenol, 2-chloro-6-nitro-

HCID 11784

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Basic information

CAS: 603-86-1
Standard SMILES: O=[N+]([O-])c1cccc(Cl)c1O
InChIKey: ICCYFVWQNFMENX-UHFFFAOYSA-N
Molecular formula: C6H4ClNO3
Average molar mass: 173.55 g/mol
Monoisotopic mass: 172.98797067

Names & identifiers

Preferred name: Phenol, 2-chloro-6-nitro-
IUPAC: 2-chloro-6-nitrophenol
English name: 2-Chloro-6-nitrophenol
Molecular formula: C6H4ClNO3
Molecular weight: 173.55

Names & synonyms

2-Chloro-6-nitrophenolPhenol, 2-chloro-6-nitro-6-CHLORO-2-NITROPHENOLEINECS 210-061-7NSC 28581DTXSID8060535RefChem:172755DTXCID0042793210-061-7603-86-1MFCD000242332-chloro-6-nitro-Phenol

Show more names

2-CHLORO-6-NITROPHEN2-Chlor-6-nitrophenol2-chloro-6-nitro-pheno6-NITRO-O-CHLOROPHENOL2-NITRO-6-CHLOROPHENOL2-Chloro-6-nitrophenol,98%2-Chloro-6-nitrophenol >1-CHLORO-2-HYDROXY-3-NITROBENZENE

NSC285812-Chlor-6-nitro-phenolSCHEMBL103754ALBB-037242CL8465NSC-28581SBB064064AKOS005264161

Database identifiers

CAS: 603-86-1
PubChem CID: 11784
DTXSID: DTXSID8060535
EC Number: 210-061-7
Nikkaji: J27.343K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 67 · 67-71 °C
Boiling point: 217.3 · 217.3±20.0 °C(Predicted)
Density: 1.4914 · 1.4914 (rough estimate)
refractive index: 1.581 · 1.5810 (estimate)
storage temp.: Inert atmosphere,Room Temperature
pka: 5.43 · 5.43±0.24(Predicted)
form: Crystalline Powder
color: Yellow
λmax: 405 nm · 405nm(lit.)
InChI: InChI=1S/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
InChIKey: ICCYFVWQNFMENX-UHFFFAOYSA-N
SMILES: C1(O)=C([N+]([O-])=O)C=CC=C1Cl
CAS DataBase Reference: 603 · 603-86-1(CAS DataBase Reference)
EPA Substance Registry System: 2 · Phenol, 2-chloro-6-nitro- (603-86-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
RIDADR: 2811 · 2811
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29089990 · 29089990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (13%): 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPhenol, 2-chloro-6-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (13%)