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2,4-Dimethoxyaniline - 97%, high purity , CAS No.2735-04-8
Basic Description
Synonyms
2,4-DIMETHOXYANILINE [HSDB] | Z104478344 | BRN 0638704 | DTXSID7043829 | WLN: 1OR BZ EO1 | 2, 4-dimethoxyaniline | DTXCID5023829 | EN300-20474 | HSDB 4125 | NCGC00248966-01 | EINECS 220-355-7 | CCG-302548 | Potassiumtartratehemihydrate | 2,4-Domethoxyanil
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Product Description
Product Application:
Various 2,4-dimethoxyphenylsemicarbazones were synthesized starting from 2,4-dimethoxyaniline via a phenylcarbamate intermediate. The hydrochloride of 2,4-dimethoxyaniline was prepared by intro- ducing hydrogen chloride gas into an etheral solution and washing the precipitate with absolute diethyl ether
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,4-dimethoxyaniline
INCHI
InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3
InChIKey
GEQNZVKIDIPGCO-UHFFFAOYSA-N
Smiles
COC1=CC(=C(C=C1)N)OC
Isomeric SMILES
COC1=CC(=C(C=C1)N)OC
RTECS
BX4200000
UN Number
2811
Packing Group
I
Molecular Weight
153.18
Beilstein
13(3)2123
Reaxy-Rn
638704
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638704&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water(7g/L).
Sensitivity
light sensitive，air sensitive
Flash Point(°F)
230°F
Flash Point(°C)
>110℃
Melt Point(°C)
32-37℃
Molecular Weight
153.180 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
153.079 Da
Monoisotopic Mass
153.079 Da
Topological Polar Surface Area
44.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
119.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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B2423355