Basic information
- CAS
2734-70-5- Standard SMILES
COc1cccc(OC)c1N- InChIKey
HQBJSEKQNRSDAZ-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- Benzenamine, 2,6-dimethoxy-
- IUPAC
- 2,6-dimethoxyaniline
- English name
- 2,6-Dimethoxyaniline
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
Benzenamine, 2,6-dimethoxy-NSC 437582,6-Dimethoxy anilineDTXSID50181777RefChem:117200DTXCID90104268HQBJSEKQNRSDAZ-UHFFFAOYSA-N2,6-Dimethoxyaniline2734-70-52,6-dimethoxyphenylamine2,6-dimethoxybenzenamine2,6-Dimethoxy-phenylamine
Show more names
BUTTPARK 33\04-692,6-Dimethoxyaniline >2,6-Dimethoxyaniline 98%2,6-Dimethoxyaniline ,98%2,6-Dimethoxyaniline, 97%
MFCD000539342 6-dimethoxyanilineNSC43758NSC-43758AKOS000302074PS-5218EN300-109597FT-0600952
Database identifiers
- CAS
2734-70-5- PubChem CID
- 95940
- DTXSID
DTXSID50181777- EC Number
- 679-090-4
- Nikkaji
- J175.237E
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 71 · 71-74
- Boiling point
- 254 ℃ · 254℃
- Density
- 1.096 · 1.096
- refractive index
- 1.477 · 1.4770 (estimate)
- Flash point
- 116 ℃ · 116℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 4.48 · 4.48±0.10(Predicted)
- color
- White to Gray to Brown
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C8H11NO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3
- InChIKey
- HQBJSEKQNRSDAZ-UHFFFAOYSA-N
- SMILES
- C1(N)=C(OC)C=CC=C1OC
- CAS DataBase Reference
- 2734 · 2734-70-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 311 · H311-H332-H373-H302-H315-H319
- Precautionary statements
- 280 h-P302+P352-P309-P310-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501 · P280h-P302+P352-P309-P310-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 20 · 20/21/22-36/37/38-36-33
- Safety Statements
- 26 · 26-36/37/39-36/37-28
- RIDADR
- 2811 · UN2811
- Hazard Note
- Toxic/Irritant
- TSCA
- N
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214200 · 29214200
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, 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 8 reports by companies from 3 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
- tsca
- N
- ridadr
- UN2811
- hs_code
- 29214200
- risk_code
- 20/21/22-36/37/38-36-33
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xi,T
- hazard_note
- Toxic/Irritant
- safety_code
- 26-36/37/39-36/37-28
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H311-H332-H373-H302-H315-H319
- Precautionary statements
- P280h-P302+P352-P309-P310-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses2,6-Dimethylaniline degradation by Fenton process has been studied in depth for the purpose of learning more about the reactions involved in the oxidation of 2,6-dimethylaniline under various reaction conditions. Using a previously developed gas chromatographic-mass spectrometric assay, hemoglobin adducts of 2,6-dimethylaniline were detected covalently bound to rat hemoglobin after administration of either 2,6-dimethylaniline or lidocaine.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
9 records
Compound notes
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