Basic information
- CAS
619-08-9- Standard SMILES
O=[N+]([O-])c1ccc(O)c(Cl)c1- InChIKey
BOFRXDMCQRTGII-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO3
- Average molar mass
- 173.55 g/mol
- Monoisotopic mass
- 172.98797067
Overview
2-chloro-4-nitrophenol is a nitrophenol.
Names & identifiers
- Preferred name
- Nitrofungin
- IUPAC
- 2-chloro-4-nitrophenol
- English name
- 2-Chloro-4-nitrophenol
- Molecular formula
- C6H4ClNO3
- Molecular weight
- 173.55
Names & synonyms
2-CHLORO-4-NITROPHENOL619-08-9NitrofunginPhenol, 2-chloro-4-nitro-NitrofurginY2V03M9UL8NSC-1316DTXSID0060694RefChem:86263DTXCID7043166210-578-8MFCD00043910
Show more names
2-Chloro-4-nit2-Chloro-4-nitrooro-4-nitrophenoL2-Chloro-4-nitrophen2-Chlor-4-nitrophenol2-Chloro-p-nitrophenol2-chloro-4-nitro-phenoP-NITRO-O-CHLOROPHENOL
2-Chloro-4-nitro-phenol2-Chloranyl-4-Nitro-PhenolPhenol, chloro-4-nitro-2-Chloro-4-Nitro PhenolNSC 1316EINECS 210-578-8BRN 2046372UNII-Y2V03M9UL8
Database identifiers
- CAS
619-08-9- PubChem CID
- 12074
- DTXSID
DTXSID0060694- ChEMBL
CHEMBL150824- ChEBI
CHEBI:208164- UNII
- Y2V03M9UL8
- EC Number
- 210-578-8
- Nikkaji
- J14.161E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrophenols
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Melting Point111 °C
Vapor Pressure0.000296 [mmHg]
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 105 · 105-106 °C (lit.)
- Boiling point
- 290.6 · 290.6±25.0 °C(Predicted)
- Density
- 1.4914 · 1.4914 (rough estimate)
- vapor pressure
- 0.133 Pa · 0.133Pa at 25℃
- refractive index
- 1.581 · 1.5810 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder or Crystals
- pka
- 5.43 · 5.43±0.22(Predicted)
- color
- White to beige
- Water Solubility
- slightly soluble
- BRN
- 2046372 · 2046372
- InChI
- 1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
- InChIKey
- BOFRXDMCQRTGII-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1Cl)[N+]([O-])=O
- LogP
- 2.55 · 2.55
- CAS DataBase Reference
- 619 · 619-08-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 V03M9UL8 · Y2V03M9UL8
- NIST Chemistry Reference
- 2 · 2-Chloro-4-nitrophenol(619-08-9)
- EPA Substance Registry System
- 2 · Phenol, 2-chloro-4-nitro- (619-08-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36-37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 5075000 · SK5075000
- TSCA
- TSCA listed
- HS Code
- 29089000 · 29089000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 19-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21196
Phenol, 2-chloro-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and dermatitis in dermal lethal-dose studies of rabbits; Causes somnolence and diarrhea in oral lethal-dose studies of rats; [RTECS] A moderate skin and eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See 2-Fluoro-4-nitrophenol and 4-Nitrophenol.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Protective Action Criteria (PAC)
2.7 [mg/m3]
30 [mg/m3]
180 [mg/m3]
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SK5075000
- ridadr
- 2811
- hs_code
- 29089000
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-chloro-4-nitro-: ACTIVE
Applications
Uses2-Chloro-4-nitrophenol, is frequently used as building blocks for dyes, plastics, explosives. It acts as a catalytic agent, petrochemical additive and used in organic synthesis. It can react with sulfuric acid dimethyl ester to produce 2-chloro-4-nitro-anisole. This reaction will need reagents K2CO3 and xylene.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
96 records
Compound notes
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