5-Methoxy-2-nitrobenzoic acid

HCID 339209
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Basic information

CAS
1882-69-5
Standard SMILES
COc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIKey
URADKXVAIGMTEG-UHFFFAOYSA-N
Molecular formula
C8H7NO5
Average molar mass
197.14 g/mol
Monoisotopic mass
197.03242232

Names & identifiers

Preferred name
5-Methoxy-2-nitrobenzoic acid
IUPAC
5-methoxy-2-nitrobenzoic acid
English name
5-Methoxy-2-nitrobenzoic acid
Molecular formula
C8H7NO5
Molecular weight
197.14

Names & synonyms

5-Methoxy-2-nitrobenzoic acid1882-69-5DTXSID90320805RefChem:536665DTXCID10271926606-135-7Benzoic acid, 5-methoxy-2-nitro-2-Nitro-5-methoxybenzoic acidMFCD001518366-Nitro-m-anisic Acid5-methoxy-2-nitro-benzoic acidNSC364656
Show more names
6-Nitro-m-anisicacid5-methoxy-2-nitrobenzoate5-Methoxy-2-nitrobenzoicAcid>Benzoic acid, 5-methoxy-2-nitro-5-Methoxy-2-nitrobenzoic acid,97%5-Methoxy-2-nitrobenzoic acid 97%6-Nitro-m-anisic acid, 2-Carboxy-4-methoxyn
5-methoxy-nitrobenzoic acidSTR05879M2245F0001-0675Z901466745-Methoxy-2-nitrobenzoicAcidAM20060092FT-0620559

Database identifiers

CAS
1882-69-5
PubChem CID
339209
DTXSID
DTXSID90320805
EC Number
606-135-7
Nikkaji
J1.790.249K、J999.465C

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
125 · 125-130 °C (lit.)
Boiling point
334.23 °C · 334.23°C (rough estimate)
Density
1.43 · 1.430
refractive index
1.57 · 1.5700 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 01-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18568
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29182900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 4 items

Uses5-Methoxy-nitrobenzoic Acid is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synthesized using this compound.

Uses5-Methoxy-2-nitrobenzoic acid may be used as starting material in the synthesis of the following:dictyoquinazol A, a neuroprotective compound5-methoxyantranilic acid by catalytic reductionpyrrolobenzodiazepines

Uses5-Methoxy-2-nitrobenzoic acid is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synt hesized using this compound.

General Description5-Methoxy-2-nitrobenzoic acid is a substituted 2-nitrobenzoic acid. It has been reported to be one of the microbial degradation metabolite of cypermethrin, a synthetic pyrethroid pesticide.

Upstream & downstream products

Suppliers100 total

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

56 records
New reaction record

Compound notes

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