Basic information
- CAS
612-28-2- Standard SMILES
CNc1ccccc1[N+](=O)[O-]- InChIKey
KFBOUJZFFJDYTA-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- Benzenamine, N-methyl-2-nitro-
- IUPAC
- N-methyl-2-nitroaniline
- English name
- N-Methyl-2-nitroaniline
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
N-Methyl-2-nitroaniline612-28-2N-Methyl-o-nitroanilineBenzenamine, N-methyl-2-nitro-o-Nitro-N-methylaniline2-Nitro-N-methylanilineo-(Methylamino)nitrobenzeneAniline, N-methyl-o-nitro-N-Methyl-2-nitrobenzenamineEINECS 210-303-1NSC 86672BRN 2209110
Show more names
Telmisartan Impurity V1-METHYL-2-NITROANILINEn-methyl-o-nitro-anilinTelmisartan Impurity 14o-Nitro-N-methyl aniline2-METHYLAMINONITROBENZENE
DTXSID4060608RefChem:561997DTXCID2042981210-303-1InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1HN-Methyl 2-nitroanilinemethyl(2-nitrophenyl)amineMFCD00007090
Database identifiers
- CAS
612-28-2- PubChem CID
- 69157
- DTXSID
DTXSID4060608- UNII
- DT8RVN6PBT
- EC Number
- 210-303-1
- Nikkaji
- J95.688K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.18
Physicochemical properties
- Melting point
- 35 · 35-38 °C (lit.)
- Boiling point
- 294.61 °C · 294.61°C (rough estimate)
- Density
- 1.2333 · 1.2333 (estimate)
- refractive index
- 1.6276 · 1.6276 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- pka
- -0.49 · -0.49±0.25(Predicted)
- color
- Orange to Red
- InChI
- 1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
- InChIKey
- KFBOUJZFFJDYTA-UHFFFAOYSA-N
- SMILES
- CNc1ccccc1[N+]([O-])=O
- LogP
- 0.972 · 0.972
- CAS DataBase Reference
- 612 · 612-28-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- -2 · Benzenamine, N-methyl-2-nitro- (612-28-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373
- Precautionary statements
- 260 · P260-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T,Xi
- Risk Statements
- 23 · 23/24/25-33
- Safety Statements
- 36 · 36/37-45
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 5710000 · BY5710000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
- REACH Registrations
- Active
- Limited Quantities
- 0.5 Kg · 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30005
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BY5710000
- ridadr
- 2811
- risk_code
- 23/24/25-33
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T,Xi
- safety_code
- 36/37-45
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H301+H311+H331-H373
- Limited Quantities
- 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
- Precautionary statements
- P260-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N-methyl-2-nitro-: ACTIVE
Applications
UsesN-Methyl-2-nitroaniline was used in the determination of the polarities of ionic liquids using the Kamlet-Taft empirical polarity scales. It was also employed in characterization of the octadecyl-derivatized silica stationary phase and the corresponding mobile phases used in reversed-phase liquid chromatography.
General DescriptionN-Methyl-2-nitroaniline is a solvatochromic dye.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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Alfa Chemistry1-516-6625404 · [email protected]
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郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
济南路远生物医药科技有限公司13210587493
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
Related reactions
24 records
Compound notes
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