3-Amino-4-methoxybenzoic acid

HCID 17823CAS 2840-26-8
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)O)cc1N
InChIKey
FDGAEAYZQQCBRN-UHFFFAOYSA-N
Molecular formula
C8H9NO3
Average molar mass
167.16 g/mol
Monoisotopic mass
167.05824315

Names & identifiers

Preferred name
3-Amino-4-methoxybenzoic acid
IUPAC
3-amino-4-methoxybenzoic acid
English name
3-Amino-4-methoxybenzoic acid
Molecular formula
C8H9NO3
Molecular weight
167.16

Names & synonyms

3-Amino-4-methoxybenzoic acid3-Amino-p-anisic acidDTXSID709510702840-76-8RefChem:497290DTXCID501379203220-634-32840-26-83-amino-4-methoxy-benzoic acid3-Amino-4-anisic acidMFCD00002521p-Anisic acid, 3-amino-
Show more names
3-Aminoanisic acidAmino-p-Anisic AcidLABOTEST-BB LT011385833-AMINO-METHOXY BENZOIC ACID3-amino-4-methoxy-benzoicaci3-Amino-4-methoxylbenzoic acid
BENZOIC ACID, 3-AMINO-4-METHOXY-3-Amino-4-methoxybenzoicacid5-Carboxy-2-methoxyanilineKyselina 3-amino-4-methoxybenzoova3-Amino-4-methoxybenzoic3-amino 4-methoxy benzoic acidCS-W017841SY046669

Database identifiers

CAS
2840-26-8、2840-76-8
PubChem CID
17823
DTXSID
DTXSID70951070
EC Number
220-634-3
Nikkaji
J12.593H

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
72.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
208 · 208-210 °C(lit.)
Boiling point
295.73 °C · 295.73°C (rough estimate)
Density
1.2917 · 1.2917 (rough estimate)
refractive index
1.557 · 1.5570 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2A (97.9%)；STOT SE 3 (95.7%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
DG2872000
hs_code
29225090
risk_code
36/37/38-37/38-36
Signal word
Warning

Chemistry & industry

Applications

UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Uses3-Amino-4-methoxybenzoic Acid is a general reactant/reagent used in the synthesis of VEGFR-2 inhibitors. Also used in the preparation of dihydroisoquinoline compounds as tubulin polymerization inhibitors.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]

Related reactions

69 records
New reaction record

Linked notes

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