2486-69-3 (HCID 288057)

Names & identifiers

Preferred name: 2486-69-3
IUPAC: 4-amino-3-methoxybenzoic acid
English name: 4-Amino-3-methoxybenzoic acid
Molecular formula: C8H9NO3
Molecular weight: 167.16

Names & synonyms

4-Amino-3-methoxybenzoic acid2486-69-3DTXSID50302086RefChem:267482DTXCID90253220627-279-7InChI=1/C8H9NO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11Benzoic acid, 4-amino-3-methoxy-3-methoxy-4-aminobenzoic acid4-Amino-3-methoxy-benzoic acid4-Amino-m-anisic AcidMFCD00016539

Show more names

TIMTEC-BB SBB0086224-AMino-3-Methoxyben4-Amino-3-methoxybenzoic4-Amino-3-methoxybenzoic acid,98%4-AMINO-3-METHOXYBENZOIC ACID 99%

NSC-1484724-Amino-3-methoxybenzoicacidNSC148472MR29BEL7PUSCHEMBL72751o-Anisidine-4-carboxylic Acid4-amino-3-methoxylbenzoic acidorb2940183

Database identifiers

CAS: 2486-69-3
PubChem CID: 288057
DTXSID: DTXSID50302086
UNII: MR29BEL7PU
EC Number: 627-279-7
Nikkaji: J1.677.403K

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 186 · 186-188 °C (lit.)
Boiling point: 357.9 · 357.9±27.0 °C(Predicted)
Density: 1.303 · 1.303±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Powder, Crystals and/or Chunks or Fused Solid
pka: 4.74 · 4.74±0.10(Predicted)
color: White to cream to pale yellow
Major Application: peptide synthesis
InChI: 1S/C8H9NO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey: JNFGLYJROFAOQP-UHFFFAOYSA-N
SMILES: COc1cc(ccc1N)C(O)=O
CAS DataBase Reference: 2486 · 2486-69-3(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338 · P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29225090 · 29225090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 48 reports by companies from 8 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
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338

Chemistry & industry

Applications

UsesKey building block for the efficient synthesis of carbazole alkaloids mukonine and mukonidine via oxidative annulation.

Uses4-Amino-3-methoxybenzoic Acid is an intermediate used to prepare (aminophenyl)benzothiazoles with antitumor activities. It is also used to synthesize (phenyl)(cyanopyrazinyl)urea derivatives as checkpoint kinase-1 (Chk1) inhibitors.

Upstream & downstream products

Upstream raw materials

Downstream products

7-Methoxy-1H-indole 4-Iodo-3-methoxybenzenecarboxylic acid [4-[[5-Chloro-4-(MethylaMino)-2-pyriMidinyl]aMino]-3-Methoxyphenyl]-4-MorpholinylMethanone Methyl 4-amino-3-methoxybenzoate 6-Quinolinecarboxylic acid, 8-methoxy-, ethyl ester BOC-4-AMINO-3-METHOXYBENZOIC ACID

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

158 records

New reaction record

HRID 1084As reactantuspto-grants-1998_03

HRID 93354As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 95081As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 97604As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103262As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107157As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123260As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138265As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information