6-Nitro-m-toluidine
Basic information
- CAS
578-46-1- Standard SMILES
Cc1ccc([N+](=O)[O-])c(N)c1- InChIKey
IGDYNWKWXUCIJB-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
5-methyl-2-nitroaniline appears as yellow leaflets (from water) or orange powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 6-Nitro-m-toluidine
- IUPAC
- 5-methyl-2-nitroaniline
- English name
- 5-Methyl-2-nitroaniline
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
5-Methyl-2-nitroaniline578-46-13-AMINO-4-NITROTOLUENE6-Nitro-m-toluidineBenzenamine, 5-methyl-2-nitro-m-Toluidine, 6-nitro-Benzenamine, 3-methyl-6-nitro-5-Methyl-o-nitroanilineDTXSID2025634EINECS 209-423-7NSC 28586BRN 2691416
Show more names
6-nitro-m-toluidinLABOTEST-BB LTBB0006303-methyl-6-nitro-benzenamin5-Methyl-2-nitrophenylamine
YY17U389O6NSC-285864-12-00-01861 (Beilstein Handbook Reference)DTXCID2056343-METHYL-6-NITROANILINE2-nitro-5-methylanilineRefChem:5440954-NITRO-3-AMINOTOLUENE
Database identifiers
- CAS
578-46-1- PubChem CID
- 11356
- DTXSID
DTXSID2025634- ChEMBL
CHEMBL278016- UNII
- YY17U389O6
- EC Number
- 209-423-7
- Nikkaji
- J85.098E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point234 °F (NTP, 1992)
Physical Description5-methyl-2-nitroaniline appears as yellow leaflets (from water) or orange powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 110 · 110-111 °C (lit.)
- Boiling point
- 312.4 · 312.4±22.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- powder
- pka
- 0.03 · 0.03±0.25(Predicted)
- Appearance
- Light yellow to yellow Solid
- BRN
- 2691416 · 2691416
- InChI
- 1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
- InChIKey
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation. Structurally similar chemicals may cause methemoglobinemia. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile5-METHYL-2-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates, and strong oxidizers (NTP, 1992).
Air and Water ReactionsThis chemical is sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety & protection
Chemistry & industry
Applications
Uses5-Methyl-2-nitroaniline has been used in the preparation of N-(5-methyl-2-nitrophenyl)-4-[N-(pyridin-3-ylmethoxy carbonyl)aminomethyl]benzamide.
General DescriptionYellow leaflets (from water) or orange powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
11 records
Compound notes
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