4-Ethylaniline
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Basic information
- CAS
589-16-2- Standard SMILES
CCc1ccc(N)cc1- InChIKey
HRXZRAXKKNUKRF-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914935
Names & identifiers
- Preferred name
- 4-Ethylaniline
- IUPAC
- 4-ethylaniline
- English name
- 4-Ethylaniline
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
4-ETHYLANILINE589-16-2Benzenamine, 4-ethyl-Aniline, 4-ethyl-4-ethylbenzenamineMHX72W1ZQVDTXSID0022066NSC-62015RefChem:522843DTXCID402066209-637-0p-Ethylaniline
Show more names
4-ethyl-anilinaniline,4-ethyl-To ethyl anilinepara-EthylanilineAKOS BBS-00003560
4-Ethylphenylamine1-Amino-4-ethylbenzeneAniline, p-ethyl-p-Ethylaminobenzene4-Aminoethylbenzene4-ethyl anilineMFCD00007921NSC 62015
Database identifiers
- CAS
589-16-2- PubChem CID
- 11504
- DTXSID
DTXSID0022066- UNII
- MHX72W1ZQV
- EC Number
- 209-637-0
- Nikkaji
- J44.132E
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -5 °C · -5 °C (lit.)
- Boiling point
- 216 °C · 216 °C (lit.)
- Density
- 0.975 g/mL · 0.975 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.554(lit.)
- Flash point
- 185 °F · 185 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 1 · pK1:5.00(+1) (25°C)
- color
- Clear yellow to red-brown
- Water Solubility
- immiscible
- BRN
- 774319 · 774319
- Henry's Law Constant
- 3.1 · 3.1×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
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+H311+H331 (38.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, 4-ethyl-
Benzenamine, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BX9900000
- ridadr
- 1602
- hs_code
- 29214980
- risk_code
- 23/24/25-33
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 36/37/39-45-36/37-28A
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-ethyl-: ACTIVE
Applications
Uses4-Ethylaniline can be used as intermediates of liquid crystal.
Upstream & downstream products
Downstream products
Related reactions
170 records
Compound notes
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