4,5-Dimethoxyanthranilic acid

HCID 79736
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
5653-40-7
Standard SMILES
COc1cc(N)c(C(=O)O)cc1OC
InChIKey
HJVAVGOPTDJYOJ-UHFFFAOYSA-N
Molecular formula
C9H11NO4
Average molar mass
197.19 g/mol
Monoisotopic mass
197.06880783

Names & identifiers

Preferred name
4,5-Dimethoxyanthranilic acid
IUPAC
2-amino-4,5-dimethoxybenzoic acid
English name
2-Amino-4,5-dimethoxybenzoic acid
Molecular formula
C9H11NO4
Molecular weight
197.19

Names & synonyms

2-Amino-4,5-dimethoxybenzoic acid5653-40-74,5-Dimethoxyanthranilic acidEINECS 227-095-3DTXSID90205087RefChem:507799DTXCID90127578227-095-36-Aminoveratric acid2-amino-4,5-dimethoxy-benzoic acidMFCD00011671Benzoic acid, 2-amino-4,5-dimethoxy-
Show more names
4,5-Dimethoxy-2-aminobenzoic acidLR-79TIMTEC-BB SBB007800RARECHEM AL BO 1315LABOTEST-BB LT000807094,5-DimethoxyanthraniL5-diMethoxybenzoic acid4,5-Dimethoxyanthranilic2-Amino-4,5-dimethoxybenzoic
4,5-dimethoxy 2-amino benzoic acidEN300-20489F3048-0206Q2745167414F2-Amino-4,5-dimethoxy benzoic acid2-Amino-4,5-dimethoxybenzoicacid6-Amino-3,4-dimethoxybenzoic acid

Database identifiers

CAS
5653-40-7
PubChem CID
79736
DTXSID
DTXSID90205087
UNII
CAK4SAW5CP
EC Number
227-095-3
Nikkaji
J208.470H

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
81.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
14

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
169 · 169-173 °C (dec.) (lit.)
Boiling point
334.28 °C · 334.28°C (rough estimate)
Density
1.3075 · 1.3075 (rough estimate)
refractive index
1.527 · 1.5270 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Acetontrile (Slightly), DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29225090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2-Amino-4,5-dimethoxybenzoic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

55 records
New reaction record

Compound notes

Loading…