3,4-Dimethoxy-5-nitrobenzoic acid

HCID 21928624
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Grundinformationen

CAS
91004-48-7
Standard-SMILES
COc1cc(C(=O)O)cc([N+](=O)[O-])c1OC
InChIKey
GQNSKXYALDGGGN-UHFFFAOYSA-N
Summenformel
C9H9NO6
Durchschnittliche Molmasse
227,17 g/mol
Monoisotopische Masse
227,04298701

Namen und Bezeichner

Bevorzugter Name
3,4-Dimethoxy-5-nitrobenzoic acid
IUPAC
3,4-dimethoxy-5-nitrobenzoic acid
Englischer Name
3,4-Dimethoxy-5-nitro-benzoic acid
Summenformel
C9H9NO6
Molmasse
227.17

Namen und Synonyme

3,4-dimethoxy-5-nitrobenzoic acid91004-48-73,4-DIMETHOXY-5-NITRO-BENZOIC ACIDMFCD00015925SCHEMBL1447399SCHEMBL29493652DTXSID906202513,4-dimethoxy-5-nitrobenzoicacidGQNSKXYALDGGGN-UHFFFAOYSA-N3-nitro-4,5-dimethoxybenzoic acidRDA00448AKOS009487149
Weitere Namen anzeigen
Oxiracetam impurity 343,4-dimethoxy-5-nitrobenzoic acid(WXC04825)3,4-dimethoxy-5-nitrobenzoic acid (innovative process)
Benzoic acid,3,4-dimethoxy-5-nitro-AB85346Benzoic acid, 3,4-dimethoxy-5-nitro-AS-61927SY193319CS-0147421EN300-86001W15537

Datenbank-Bezeichner

CAS
91004-48-7
PubChem CID
21928624
DTXSID
DTXSID90620251
EC Number
160-947-1
Nikkaji
J181.459A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
102 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
3
Schwere Atome
16

Physikochemische Eigenschaften

Schmelzpunkt
194 · 194-195 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Siedepunkt
399.4 · 399.4±42.0 °C(Predicted)
Dichte
1.403 · 1.403±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
3.73 · 3.73±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 1 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anbieter33 Anbieter

宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]

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