Phenol, 5-chloro-2-nitro-

HCID 11900

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Basic information

CAS: 611-07-4
Standard SMILES: O=[N+]([O-])c1ccc(Cl)cc1O
InChIKey: MZDBQSFPAMTTIS-UHFFFAOYSA-N
Molecular formula: C6H4ClNO3
Average molar mass: 173.55 g/mol
Monoisotopic mass: 172.98797067

Names & identifiers

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

Names & synonyms

5-CHLORO-2-NITROPHENOL611-07-4Phenol, 5-chloro-2-nitro-EINECS 210-249-9DTXSID7060596EC 210-249-9RefChem:861303DTXCID9042960210-249-92-nitro-5-chlorophenolMFCD092608495-chloro-2-nitro-phenol

Show more names

3-Chloro-6-nitrophenol5-Chlor-2-nitrophenolPhenol,5-chloro-2-nitro-5-Chloro-2-nitrophenol 98%5-Chloro-2-nitrophenol 95+%4-Chloro-2-hydroxynitrobenzene

6-Nitro-3-chlorophenol5-chloro-2-nitrobenzenol9J75UJ5JGL2-nitro-5-chloro-phenolUNII-9J75UJ5JGL5-Chloro-2-nitrophenol #phenol, 3-chloro-6-nitro-AN-584/43362395

Database identifiers

CAS: 611-07-4
PubChem CID: 11900
DTXSID: DTXSID7060596
UNII: 9J75UJ5JGL
EC Number: 210-249-9
Nikkaji: J95.666J

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: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 41 °C · 41°C
Boiling point: 247.6 · 247.6±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: 6.08 · 6.08±0.13(Predicted)
form: solid
color: yellow
InChI: InChI=1S/C6H4ClNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChIKey: MZDBQSFPAMTTIS-UHFFFAOYSA-N
SMILES: C1(O)=CC(Cl)=CC=C1[N+]([O-])=O
FDA UNII: 9 J75UJ5JGL · 9J75UJ5JGL
NIST Chemistry Reference: 5 · 5-Chloro-2-nitrophenol(611-07-4)
EPA Substance Registry System: 5 · Phenol, 5-chloro-2-nitro- (611-07-4)
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
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2921490090 · 2921490090
REACH Registrations: Inactive

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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 22-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10010

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2921490090
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_class: IRRITANT
Hazard statements: H302-H315-H317-H318-H410
REACH Registrations: Inactive
Precautionary statements: P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501