Basic information
- CAS
612-64-6- Standard SMILES
CCN(N=O)c1ccccc1- InChIKey
WXRXVZXYLBWKRG-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Overview
N-nitroso-n-ethylaniline appears as clear amber or yellow liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- N-Nitroso-N-ethylaniline
- IUPAC
- N-ethyl-N-phenylnitrous amide
- English name
- N-Nitroso-N-ethylaniline
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
N-Nitroso-N-ethylanilineN-Ethyl-N-nitrosoanilineAniline, N-ethyl-N-nitroso-N-Ethyl-N-nitrosobenzenamineN-NitrosoethylphenylamineN-Nitroso-N-ethyl anilineCCRIS 5880BRN 1841635AI3-15354N-Ethyl-N-phenylnitrosamineDTXSID50257864-16-00-00865 (Beilstein Handbook Reference)
Show more names
NEARMA-9NSC 405070NitrosoethylanilineNitrosoethylphenylaminen-ethyl-n-nitroso-anilin
RefChem:163968DTXCID705786866-116-6WXRXVZXYLBWKRG-UHFFFAOYSA-N612-64-6Benzenamine, N-ethyl-N-nitroso-N-ethyl-N-phenylnitrous amideEthylnitrosoaniline
Database identifiers
- CAS
612-64-6- PubChem CID
- 11929
- DTXSID
DTXSID5025786- UNII
- 2RW6X8LUQ5
- EC Number
- 866-116-6
- Nikkaji
- J33.837K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Density1.0874 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling Point266 °F at 760 mmHg (NTP, 1992)
Physical DescriptionN-nitroso-n-ethylaniline appears as clear amber or yellow liquid. (NTP, 1992)
Physicochemical properties
- Boiling point
- 86 °C/ · 86°C/ 1 mm
- Density
- 1.0874 · 1.0874
- refractive index
- 1.618 · 1.6180 (estimate)
- storage temp.
- Refrigerator
- solubility
- 5 mg/mL · DMSO: 5mg/mL
- form
- Oil
- pka
- -1.59 · -1.59±0.50(Predicted)
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]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Reactivity Profile
A nitrated amine. Amines are combustible. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Applications
DescriptionN-Nitroso-N-ethylaniline is a member of the N-nitrosamine class of compounds, which are classified as carcinogens by the Environmental Protection Agency.1 However, N-nitroso-N-ethylaniline is non-carcinogenic in a survival assay using 2FR450 Rauscher leukemia virus-infected rat embryo cultures.2 It is a synthetic intermediate in the synthesis of 3-amino-4-hydrazine-cyclobut-3-ene-1,2-diones as antagonists of chemokine (C-X-C motif) receptor 2 (CXCR2).3WARNING This product is not for human or veterinary use.
General DescriptionClear amber or yellow liquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers44 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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