Basic information
- CAS
881-03-8- Standard SMILES
Cc1ccc2ccccc2c1[N+](=O)[O-]- InChIKey
IZNWACYOILBFEG-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Overview
1-nitro-2-methylnaphthalene is a yellow solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Methyl-1-nitronaphthalene
- IUPAC
- 2-methyl-1-nitronaphthalene
- English name
- 2-Methyl-1-nitronaphthalene
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
Show more names
Database identifiers
- CAS
881-03-8、92538-34-6- PubChem CID
- 13432
- DTXSID
DTXSID2025761- ChEMBL
CHEMBL1452824- UNII
- 0IG2R1R9F7
- EC Number
- 212-917-5
- Nikkaji
- J113.687I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 79 · 79-82 °C(lit.)
- Boiling point
- 185 · 185-186 °C18 mm Hg(lit.)
- Density
- 1.1963 · 1.1963 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- BRN
- 1954310 · 1954310
- Henry's Law Constant
- 1.5 · 1.5×100 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- InChI
- InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3
- InChIKey
- IZNWACYOILBFEG-UHFFFAOYSA-N
- SMILES
- C1([N+]([O-])=O)=C2C(C=CC=C2)=CC=C1C
- CAS DataBase Reference
- 881 · 881-03-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 IG2R1R9F7 · 0IG2R1R9F7
- EPA Substance Registry System
- 1 · 1-Nitro-2-methylnaphthalene (881-03-8)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H312
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-36/37/39-26
- WGK Germany
- 3 · 3
- RTECS
- 9708200 · QJ9708200
- F
- 8 · 8
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29042090 · 29042090
- Storage Class
- 11 · 11 - Combustible Solids
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Reactivity Profile
Aromatic nitro compounds, such as 1-NITRO-2-METHYLNAPHTHALENE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. Stable under normal conditions. Protect from bases. (NTP, 1992)
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ9708200
- hs_code
- 29042090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H332-H302-H312
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Uses & manufacturing
Applications
General DescriptionYellow solid.
Upstream & downstream products
Downstream products
Suppliers81 total
Related reactions
Compound notes
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