2,5-Dichloro-4-nitrophenol

HCID 22108

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Basic information

CAS: 5847-57-4
Standard SMILES: O=[N+]([O-])c1cc(Cl)c(O)cc1Cl
InChIKey: BWQWBOCFVUBGEF-UHFFFAOYSA-N
Molecular formula: C6H3Cl2NO3
Average molar mass: 208 g/mol
Monoisotopic mass: 206.94899832

Names & identifiers

Preferred name: 2,5-Dichloro-4-nitrophenol
IUPAC: 2,5-dichloro-4-nitrophenol
English name: 2,5-dichloro-4-nitrophenol
Molecular formula: C6H3Cl2NO3
Molecular weight: 208

Names & synonyms

2,5-DICHLORO-4-NITROPHENOL5847-57-4Phenol, 2,5-dichloro-4-nitro-EINECS 227-439-2DTXSID50207163RefChem:82796DTXCID50129654227-439-2MFCD086898662,5-dichloro-4-nitro-phenolSCHEMBL5642359FAA84757

Show more names

4-Nitro-2,5-dichlorophenol

CL8457AKOS016007284AS-46034SY113564DB-087490CS-0114441NS00033938EN300-706040

Database identifiers

CAS: 5847-57-4
PubChem CID: 22108
DTXSID: DTXSID50207163
EC Number: 227-439-2
Nikkaji: J218.097I

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 117 °C · 117 °C(Solv: carbon tetrachloride (56-23-5))
Boiling point: 317 · 317.0±42.0 °C(Predicted)
Density: 1.682 · 1.682±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 4 · 4+-.0.24(Predicted)
color: Pale Yellow to Light Yellow
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H315-H317-H318-H410
Precautionary statements: 261 · P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
Hazard statements: H302-H315-H317-H318-H410
Precautionary statements: P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501