Basic information
- Standard SMILES
O=Nc1c(O)ccc2ccccc12- InChIKey
YXAOOTNFFAQIPZ-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767847
Names & identifiers
- Preferred name
- 1-Nitroso-2-naphthol
- IUPAC
- 1-nitrosonaphthalen-2-ol
- English name
- 1-Nitroso-2-naphthol
- Molecular formula
- C10H7NO2
- Molecular weight
- 173.17
Names & synonyms
1-Nitroso-2-naphthol131-91-92-Naphthalenol, 1-nitroso-Nitroso-beta-naphthol2-Naphthol, 1-nitroso-Zelen moridlova 4757I55U2QXNSC-4151DTXSID9059622RefChem:435075DTXCID5034014205-043-0
Show more names
CI NO 10005Cobalt reagentzelenmoridlova4Compound Fr121781-Nitroso-2-phtholNitroso-2-NaphtholNitroso-β-naphtholTIMTEC-BB SBB009148
C.I. 100001-nitrosonaphthalen-2-ol2636-79-51-Nitroso-2-naftol1-(hydroxyimino)naphthalen-2(1H)-onealpha-Nitroso-beta-naphtholMFCD000038841,2-Naphthalenedione, 1-oxime
Database identifiers
- CAS
131-91-9、2636-79-5- PubChem CID
- 8580
- DTXSID
DTXSID9059622- ChEBI
CHEBI:194993- UNII
- 757I55U2QX
- EC Number
- 205-043-0
- Nikkaji
- J430.126I、J5.568I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
Vapor Pressure0.0000911 [mmHg]
Physical DescriptionYellowish-brown solid; [Merck Index] Brown powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 106 · 106-108 °C (dec.) (lit.)
- Boiling point
- 303.81 °C · 303.81°C (rough estimate)
- Density
- 1.2427 · 1.2427 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Colour Index
- 10005 · 10005
- pka
- 7.87 · 7.87±0.10(Predicted)
- form
- crystalline
- color
- tan to brown
- Water Solubility
- insoluble
- Merck
- 14 · 14,6641
- BRN
- 776947 · 776947
- InChI
- 1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
- InChIKey
- YXAOOTNFFAQIPZ-UHFFFAOYSA-N
- SMILES
- Oc1ccc2ccccc2c1N=O
- CAS DataBase Reference
- 131 · 131-91-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 757 I55U2QX · 757I55U2QX
- NIST Chemistry Reference
- 2 · 2-Naphthalenol, 1-nitroso-(131-91-9)
- EPA Substance Registry System
- 2 · 2-Naphthalenol, 1-nitroso- (131-91-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-33-20/21/22
- Safety Statements
- 26 · 26-36-45
- RIDADR
- 3077 · UN3077
- WGK Germany
- 3 · 3
- RTECS
- 4725000 · QL4725000
- F
- 8 · 8
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29089000 · 29089000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Muta. 2Skin Irrit. 2Skin Sens. 1
- Toxicity
- 500 mg/kg · LDLo orl-rat: 500 mg/kg NCNSA6 5,35,53
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (12.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenol, 1-nitroso-
2-Naphthalenol, 1-nitroso-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Nitroso-1-naphthol.
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Skin Irrit. 2 (95.7%)；Eye Irrit. 2A (95.7%)；STOT SE 3 (93.6%)；Aquatic Acute 1 (12.8%)
Regulatory information
Regulatory Information
Chemical: 2-Naphthalenol, 1-nitroso-
2-Naphthalenol, 1-nitroso-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QL4725000
- ridadr
- UN3077
- hs_code
- 29089000
- Toxicity
- LDLo orl-rat: 500 mg/kg NCNSA6 5,35,53
- risk_code
- 22-36/37/38-33-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36-45
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Muta. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesUsed to prevent gum formation in gasoline and for determination of cobalt; [Merck Index]
General Manufacturing Information2-Naphthalenol, 1-nitroso-: ACTIVE
Applications
UsesOrganic synthesis, prevention of gum formation in gasoline, dye intermediate, analytical reagent.
Uses1-Nitroso-2-naphthol as a complexing agent for the on-line preconcentration of cobalt with FI-FAAS. 1-Nitroso-2-naphthol is the chelating ion-exchanger in the synthesis of alumina adsorbents that are of acidic, basic and neutral nature. It is used for the removal and preconcentration of Pb(II), Cu(II), Cr(III) from waste, as well as drinking water. It is also used in the preconcentration of cobalt using C(18) microcolumn with flow injection that is coupled to a flame atomic absorption spectrometry (FI-FAAS) system. 1-Nitroso-2-naphthol is used in the preparation of 1-nitroso-2-naphthol-sodium nitrite reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
Additional notes
DefinitionChEBI: 1-Nitroso-2-naphthol is a member of naphthols.
Related reactions
18 records
Linked notes
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