Basic information
- CAS
10272-07-8- Standard SMILES
COc1cc(N)cc(OC)c1- InChIKey
WNRGWPVJGDABME-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- 3,5-Dimethoxyaniline
- IUPAC
- 3,5-dimethoxyaniline
- English name
- 3,5-Dimethoxyaniline
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
3,5-Dimethoxyaniline10272-07-8Benzenamine, 3,5-dimethoxy-3,5-Dimethoxybenzeneamine3,5-DIMETHOXYBENZENAMINEJS9DUH84WGEINECS 233-616-5DTXSID0065018RefChem:486894DTXCID5032735233-616-5InChI=1/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H
Show more names
AKOS 913923,5-DimethoxyaniL3,5-Dimthoxyanilin3,5-DIETHOXYANILINE3,5-Dimethoxyanilline3,5-two Methoxyaniline3,5-dimethoxy-benzenamin
MFCD000083923,5-dimethoxyphenylamine3,5-dimethoxy-benzenamineaniline, 3,5-dimethoxy-EN300-201915-Aminoresorcinol dimethyl ether3,5-DIMETHOXY-PHENYLAMINE3,5-Dimethoxyanaline
Database identifiers
- CAS
10272-07-8- PubChem CID
- 66301
- DTXSID
DTXSID0065018- ChEBI
CHEBI:172328- UNII
- JS9DUH84WG
- EC Number
- 233-616-5
- Nikkaji
- J175.238C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 54 · 54-57 °C (lit.)
- Boiling point
- 178 °C/20 · 178 °C/20 mmHg (lit.)
- Density
- 1.1577 · 1.1577 (rough estimate)
- refractive index
- 1.464 · 1.4640 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 1 · pK1:3.86(+1) (25°C)
- form
- Liquid
- color
- Clear colorless to yellow to brown
- Water Solubility
- insoluble
- BRN
- 638013 · 638013
- InChI
- 1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3
- InChIKey
- WNRGWPVJGDABME-UHFFFAOYSA-N
- SMILES
- COc1cc(N)cc(OC)c1
- CAS DataBase Reference
- 10272 · 10272-07-8(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationChemical: Benzenamine, 3,5-dimethoxy-
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (89.6%)；Eye Irrit. 2 (91.7%)；STOT SE 3 (87.5%)
Regulatory information
Regulatory InformationChemical: Benzenamine, 3,5-dimethoxy-
Safety data
- F
- 3-8-10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 3,5-dimethoxy-: ACTIVE
Applications
Uses3,5-Dimethoxyaniline is a compound useful in organic synthesis.
Uses3,5-Dimethoxyaniline (cas# 10272-07-8) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
204 records
Compound notes
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