1,4-Benzodioxan-6-ylamine
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Basic information
- CAS
22013-33-8- Standard SMILES
Nc1ccc2c(c1)OCCO2- InChIKey
BZKOZYWGZKRTIB-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-6-ylamine
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-6-amine
- English name
- 1,4-Benzodioxan-6-amine
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
22013-33-81,4-Benzodioxan-6-amine6-Amino-1,4-benzodioxane1,4-Benzodioxan-6-ylamine1,4-Benzodioxin-6-amine, 2,3-dihydro-DTXSID50176461EINECS 244-718-4RefChem:416358DTXCID2098952244-718-42,3-Dihydro-1,4-benzodioxin-6-amine2,3-Dihydrobenzo[b][1,4]dioxin-6-amine
Show more names
6-Amino-2,3-dihydro-1,4-benzodioxineAKOS AUF02030AKOS BBS-00000780LABOTEST-BB LT00012696-Amino-1,4-benzodioxan3,4-ETHYLENDIOXYANILINE
3,4-Ethylenedioxyaniline6-Amino-1,4-benzodioxanMFCD00006824(3,4-Ethylenedioxy)anilineOprea1_6912701,4-Benzodioxan-6-amine, >=98%AKOS0001125492,3-dihydrobenzo[1,4]dioxin-6-ylamine
Database identifiers
- CAS
22013-33-8- PubChem CID
- 89148
- DTXSID
DTXSID50176461- EC Number
- 244-718-4
- Nikkaji
- J208.496A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 22 °C · 22 °C
- Boiling point
- 162 °C/9 · 162 °C/9 mmHg
- Density
- 1.231 g/mL · 1.231 g/mL (lit.)
- refractive index
- 20 · n 20/D 1.599 (lit.)
- Flash point
- 113 °C · 113 °C - closed cup
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 4.83 · 4.83±0.20(Predicted)
- form
- powder to lump to clear liquid
- color
- Light yellow to Brown
- Specific Gravity
- 1.231 · 1.231
- Water Solubility
- insoluble
- Sensitive
- Light Sensitive
- BRN
- 6447 · 6447
- InChI
- InChI=1S/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2
- InChIKey
- BZKOZYWGZKRTIB-UHFFFAOYSA-N
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
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information6-Amino-1,4-benzodioxane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2810
- hs_code
- 2932999099
- risk_code
- 20/21/22-36/37/38-38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Harmful
- safety_code
- 26-37/39-36/37-36
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
Uses1,4-Benzodioxan-6-amine was used in the synthesis of N-(2-hydroxy-ethyl)-2,3-didehydroazapodophyllotoxins having anti-tumor activity and dioxanoacridinones.
Uses3,4-Ethylenedioxyaniline is a probe fragment screened to identify its ability to induce a conformation in HIV-1 transactivation response element (TAR) RNA in efforts to develop TAR-binding antiviral d rugs.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
932 records
Compound notes
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