3-Chloro-2-nitrophenol

HCID 13622170

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Basic information

CAS: 17802-02-7
Standard SMILES: O=[N+]([O-])c1c(O)cccc1Cl
InChIKey: DFMDAJMTLJGKFW-UHFFFAOYSA-N
Molecular formula: C6H4ClNO3
Average molar mass: 173.55 g/mol

Names & identifiers

Preferred name: 3-Chloro-2-nitrophenol
IUPAC: 3-chloro-2-nitrophenol
English name: 3-Chloro-2-nitrophenol
Molecular formula: C6H4ClNO3
Molecular weight: 173.55

Names & synonyms

3-Chloro-2-nitrophenol17802-02-7RefChem:499818816-160-72-Nitro-3-chlorophenolPhenol, chloro-2-nitro-MFCD08703192chloronitrophenolSCHEMBL1273867CL8481AKOS006291527SB73978

Show more names

Phenol, 3-chloro-2-nitro-

DS-18221SY045538CS-0103690AM828593-chloro-2-nitro-phenolFT-0701418SCHEMBL1273868SCHEMBL11328561

Database identifiers

CAS: 17802-02-7
PubChem CID: 13622170
EC Number: 816-160-7
Nikkaji: J338.422E

Properties

Computed structural properties

XLogP: 2
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

Physicochemical properties

Melting point: 37.5 °C · 37.5 °C
Boiling point: 250.8 · 250.8±20.0 °C(Predicted)
Density: 1.554 · 1.554±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 4.45 · 4.45±0.10(Predicted)
color: Yellow-brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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, P317, 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.