4-Ethoxy-2-nitroaniline
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Basic information
- CAS
616-86-4- Standard SMILES
CCOc1ccc(N)c([N+](=O)[O-])c1- InChIKey
ISFYBUAVOZFROB-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914218
Names & identifiers
- Preferred name
- 4-Ethoxy-2-nitroaniline
- IUPAC
- 4-ethoxy-2-nitroaniline
- English name
- 4-Ethoxy-2-nitroaniline
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
4-Ethoxy-2-nitroaniline2-Nitro-p-phenetidineBenzenamine, 4-ethoxy-2-nitro-4-Amino-3-nitrophenetolep-Phenetidine, 2-nitro-(4-ethoxy-2-nitrophenyl)amine2-nitro-4-ethoxyanilineDTXSID8022084NSC 1320EINECS 210-497-8NSC 58160UNII-K7399MO0I4
Show more names
NSC1320NSC58160SBB000231AIDS019471AIDS-019471AKOS B020041ZINC03878823
AI3-08865K7399MO0I4NSC-1320NSC-58160DTXCID2020844-ETHOXY-2-NITROBENZENAMINERefChem:98825ISFYBUAVOZFROB-UHFFFAOYSA-N
Database identifiers
- CAS
616-86-4- PubChem CID
- 69229
- DTXSID
DTXSID8022084- ChEMBL
CHEMBL3185656- UNII
- K7399MO0I4
- EC Number
- 210-497-8
- Nikkaji
- J28.414I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 111 · 111-113 °C(lit.)
- Boiling point
- 346.2 · 346.2±22.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.01 · 1.01±0.10(Predicted)
- Appearance
- Brown to reddish brown Solid
- InChI
- 1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3
- InChIKey
- ISFYBUAVOZFROB-UHFFFAOYSA-N
- SMILES
- CCOc1ccc(N)c(c1)[N+]([O-])=O
- CAS DataBase Reference
- 616 · 616-86-4(CAS DataBase Reference)
- FDA UNII
- 7399 MO0I4 · K7399MO0I4
- EPA Substance Registry System
- 4 · Benzenamine, 4-ethoxy-2-nitro- (616-86-4)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2922299090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-ethoxy-2-nitro-: INACTIVE
Applications
Uses4-Ethoxy-2-nitroaniline is a biological environmental toxin.
Uses4-Ethoxy-2-nitroaniline may be used in chemical synthesis.
Upstream & downstream products
Downstream products
Related reactions
41 records
Compound notes
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