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578-46-1

578-46-1 Structure

578-46-1 Structure
IdentificationMore
[Name]

5-METHYL-2-NITROANILINE
[CAS]

578-46-1
[Synonyms]

3-AMINO-4-NITROTOLUENE
3-METHYL-6-NITROANILINE
5-METHYL-2-NITROANILINE
6-NITRO-M-TOLUIDINE
LABOTEST-BB LTBB000630
3-methyl-6-nitro-benzenamin
6-nitro-m-toluidin
5-Methyl-2-nitro phenylamine
5-Methyl-2-nitrophenylamine
5-methyl-o-nitroaniline
5-METHYL-2-NITROANILINE 95%
5-METHYL-2-NITROANILINE/3-AMINO-4-NITROTOLUENE
2-Nitro-5-methylaniline
5-Methyl-2-nitrobenzenamine
[EINECS(EC#)]

209-423-7
[Molecular Formula]

C7H8N2O2
[MDL Number]

MFCD00007814
[Molecular Weight]

152.15
[MOL File]

578-46-1.mol
Chemical PropertiesBack Directory
[Melting point ]

110-111 °C (lit.)
[Boiling point ]

312.4±22.0 °C(Predicted)
[density ]

1.269±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

powder
[pka]

0.03±0.25(Predicted)
[Appearance]

Light yellow to yellow Solid
[BRN ]

2691416
[InChI]

1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
[InChIKey]

IGDYNWKWXUCIJB-UHFFFAOYSA-N
[SMILES]

Cc1ccc(c(N)c1)[N+]([O-])=O
[CAS DataBase Reference]

578-46-1(CAS DataBase Reference)
[EPA Substance Registry System]

5-Methyl-2-nitroaniline (578-46-1)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 2660 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

XU8060000
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29214300
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 2
STOT RE 2
[Toxicity]

mic-sat 500 mLg/plate ENMUDM 4,163,1982
Raw materials And Preparation ProductsBack Directory
[Raw materials]

5-Methylbenzofurazan-1-oxide-->3,4-Dinitrotoluene-->4-Methyl-2-nitroaniline
[Preparation Products]

3-Fluoro-4-nitrobenzoic acid-->5-(Bromomethyl)-2-nitrophenylboronic acid-->5-Methyl-2-nitrophenylboronic acid-->5-Methyl-2-nitrophenyl isocyanate-->7-Methyl-1,2,3,4-dibenzophenazine-->5-Methyl-8-nitroquinoline-->2-Benzimidazolemethanol,alpha,5-dimethyl-(8CI)
Hazard InformationBack Directory
[General Description]

Yellow leaflets (from water) or orange powder.
[Reactivity Profile]

5-METHYL-2-NITROANILINE(578-46-1) is incompatible with acids, acid chlorides, acid anhydrides, chloroformates, and strong oxidizers .
[Air & Water Reactions]

This chemical is sensitive to prolonged exposure to air. Insoluble in water.
[Health Hazard]

SYMPTOMS: Symptoms of exposure to this compound may include irritation. Structurally similar chemicals may cause methemoglobinemia.
[Fire Hazard]

Flash point data for this chemical are not available; however, 5-METHYL-2-NITROANILINE is probably combustible.
[Uses]

5-Methyl-2-nitroaniline has been used in the preparation of N-(5-methyl-2-nitrophenyl)-4-[N-(pyridin-3-ylmethoxy carbonyl)aminomethyl]benzamide.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 45, p. 4992, 1980 DOI: 10.1021/jo01312a039
[Safety Profile]

Mutation data reported. Whenheated to decomposition it emits toxic vapors of NOx.
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHYL-2-NITROANILINE(578-46-1)1HNMR
5-METHYL-2-NITROANILINE(578-46-1)Raman
5-METHYL-2-NITROANILINE(578-46-1)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Methyl-2-nitroaniline, 96%(578-46-1)
[Sigma Aldrich]

578-46-1(sigmaaldrich)
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