3-Nitroanisole
Basic information
- CAS
555-03-3- Standard SMILES
COc1cccc([N+](=O)[O-])c1- InChIKey
WGYFINWERLNPHR-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259308
Overview
3-nitroanisole is a member of the class of 3-nitroanisoles that is anisole in which one of the hydrogens meta to the methoxy group is replaced by a nitro group.
Names & identifiers
- Preferred name
- 3-Nitroanisole
- IUPAC
- 1-methoxy-3-nitrobenzene
- English name
- 3-Nitroanisole
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
3-Nitroanisole1-Methoxy-3-nitrobenzene555-03-3M-NITROANISOLEm-Methoxynitrobenzene3-MethoxynitrobenzeneBenzene, 1-methoxy-3-nitro-Anisole, m-nitro-Methyl m-nitrophenyl etherNSC 4956CCRIS 23203-nitroanisol
Show more names
META-NITROANISOLE3-Nitroanisole>3-NITROANISOLE 99+%3-NITROANISOLE 98+%Farnesane Impurity 58
EINECS 209-079-8UNII-V9920UY61E3-METHOXY-1-NITROBENZENEV9920UY61ENSC-49563-NITROMETHOXYBENZENEM-NITROANISOLE [MI]DTXSID3060295
Database identifiers
- CAS
555-03-3- PubChem CID
- 11140
- DTXSID
DTXSID3060295- ChEBI
CHEBI:48972- UNII
- V9920UY61E
- EC Number
- 209-079-8
- Nikkaji
- J1.617I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.09
Physicochemical properties
- Melting point
- 36 · 36-38°C
- Boiling point
- 258 °C · 258°C
- Density
- 1.373 · 1.373
- refractive index
- 1.503 · 1.5030 (estimate)
- Flash point
- 110 °C · >110°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- alcohol: soluble(lit.)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- Specific Gravity
- 1.373 · 1.373 (18℃)
- FreezingPoint
- 34 to · 34.0 to 37.0 ℃
- Merck
- 14 · 14,6584
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 1-methoxy-3-nitro-
Benzene, 1-methoxy-3-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BZ8787000
- ridadr
- 3458
- hs_code
- 29093090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-methoxy-3-nitro-: ACTIVE
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A member of the class of 3-nitroanisoles that is anisole in which one of the hydrogens meta to the methoxy group is replaced by a nitro group.
Related reactions
12 records
Compound notes
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