Benzenamine, N-(1-methylethyl)-4-nitro-
Basic information
- CAS
25186-43-0- Standard SMILES
CC(C)Nc1ccc([N+](=O)[O-])cc1- InChIKey
VTSUWHFLMJLYKN-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- Benzenamine, N-(1-methylethyl)-4-nitro-
- IUPAC
- 4-nitro-N-propan-2-ylaniline
- English name
- N-isopropyl-4-nitroaniline
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
N-Isopropyl-4-nitroaniline25186-43-0Benzenamine, N-(1-methylethyl)-4-nitro-HQ6RUT2PFXEINECS 246-721-6DTXSID9067067RefChem:561959DTXCID0037239246-721-64-nitro-N-propan-2-ylanilineMFCD001289974-nitro-N-(propan-2-yl)aniline
Show more names
4-Nitro-N-Propan-2-yl-Aniline(4-nitrophenyl)(prop-2-yl)amineN-Isopropyl-4-nitroaniline, 97+%N-(1-Methylethyl)-4-nitroaniline
UNII-HQ6RUT2PFXN-isopropyl-4-nitro-aniline4-isopropylamino-nitrobenzeneOprea1_264226(p-nitrophenyl)-isopropylamineaniline, N-isopropyl-4-nitro-SCHEMBL3141855AKOS003632228
Database identifiers
- CAS
25186-43-0- PubChem CID
- 32833
- DTXSID
DTXSID9067067- UNII
- HQ6RUT2PFX
- EC Number
- 246-721-6
- Nikkaji
- J236.085C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 307.3 · 307.3±25.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- pka
- 1.68 · 1.68±0.32(Predicted)
- Appearance
- Light yellow to green yellow Solid
- InChI
- 1S/C9H12N2O2/c1-7(2)10-8-3-5-9(6-4-8)11(12)13/h3-7,10H,1-2H3
- InChIKey
- VTSUWHFLMJLYKN-UHFFFAOYSA-N
- SMILES
- CC(C)NC1=CC=C([N+]([O-])=O)C=C1
- FDA UNII
- 6 RUT2PFX · HQ6RUT2PFX
- EPA Substance Registry System
- Benzenamine, N-(1-methylethyl)-4-nitro- (25186-43-0)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2921490090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N-(1-methylethyl)-4-nitro-: INACTIVE
Suppliers
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Related reactions
3 records
Compound notes
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