2-Chloro-5-nitrophenol

HCID 69264CAS 619-10-3

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Basic information

Standard SMILES: O=[N+]([O-])c1ccc(Cl)c(O)c1
InChIKey: BUMGQSCPTLELLS-UHFFFAOYSA-N
Molecular formula: C6H4ClNO3
Average molar mass: 173.55 g/mol
Monoisotopic mass: 172.98797067

Names & identifiers

Preferred name: 2-Chloro-5-nitrophenol
IUPAC: 2-chloro-5-nitrophenol
English name: 2-Chloro-5-nitrophenol
Molecular formula: C6H4ClNO3
Molecular weight: 173.55

Names & synonyms

2-Chloro-5-nitrophenol619-10-3BUMGQSCPTLELLS-UHFFFAOYSA-EINECS 210-579-3DTXSID60210921NSC 212119RefChem:86311DTXCID90133412210-579-3InChI=1/C6H4ClNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9HPhenol, 2-chloro-5-nitro-6-Chloro-3-nitrophenol

Show more names

TIMTEC-BB SBB0015242-Chloro-5-nitrophen2-Chloro-5-Nirophenol2-choro-5-nitrophenol2-Chloro-5-nitrophenol>Phenol, 2-chloro-5-nitro-4-Chloro-3-hydroxynitrobenzene

MFCD015718255-nitro-2-chlorophenol2-chloro-5-nitro-phenolSCHEMBL343604AKOS025395583CS-W021663C2077O10742

Database identifiers

CAS: 619-10-3
PubChem CID: 69264
DTXSID: DTXSID60210921
EC Number: 210-579-3
Nikkaji: J95.668F

Properties

Computed structural properties

XLogP: 2.3
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

LogP2.4

Physicochemical properties

Melting point: 118 · 118-121°C
Boiling point: 276.1 · 276.1±25.0 °C(Predicted)
Density: 1.554 · 1.554±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 6.72 · 6.72±0.19(Predicted)
color: Brown
InChIKey: BUMGQSCPTLELLS-UHFFFAOYSA-N
CAS DataBase Reference: 619 · 619-10-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Hazard Codes: Xi
Hazard Note: Harmful/Irritant
HS Code: 2908990000 · 2908990000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2908990000
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Harmful/Irritant
Hazard statements: H302-H315-H319
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501