Methyl 2-(2-nitrophenyl)acetate

HCID 520464CAS 30095-98-8

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Grundinformationen

Standard-SMILES: COC(=O)Cc1ccccc1[N+](=O)[O-]
InChIKey: SWMFAAPTSMVULA-UHFFFAOYSA-N
Summenformel: C9H9NO4
Durchschnittliche Molmasse: 195,17 g/mol
Monoisotopische Masse: 195,05315777

Namen und Bezeichner

Bevorzugter Name: Methyl 2-(2-nitrophenyl)acetate
IUPAC: methyl 2-(2-nitrophenyl)acetate
Englischer Name: Methyl (2-nitro-phenyl)-acetate
Summenformel: C9H9NO4
Molmasse: 195.17

Namen und Synonyme

methyl 2-(2-nitrophenyl)acetate30095-98-8DTXSID30334360RefChem:813282DTXCID40285450888-922-7Methyl (2-nitrophenyl)acetateMFCD00968465METHYL (2-NITRO-PHENYL)-ACETATEBenzeneacetic acid, 2-nitro-, methyl ester2-NITROPHENYLACETIC ACID METHYL ESTER(2-Nitrophenyl)acetic acid, methyl ester

Weitere Namen anzeigen

Benzocaine Impurity 12METHYL (NITRO-PHENYL)-ACETATEMETHYL2-(2-NITHROPHENYL)-ACETATE2-Nitrobenzeneacetic acid methyl2-(2-Nitrophenyl)acetic acid methylo-Nitrophenylacetic acid methyl ester

Methyl(2-NitropMethyl o-nitrophenylacetateMethyl 2-nitrophenylacetateSCHEMBL908565methyl2-(2-nitrophenyl)acetateSCHEMBL29923859Methyl (2-nitrophenyl)acetate #Methyl 2-nitrophenylacetate, 97%

Datenbank-Bezeichner

CAS: 30095-98-8
PubChem CID: 520464
DTXSID: DTXSID30334360
EC Number: 888-922-7
Nikkaji: J47.337E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 223

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1554

Physikochemische Eigenschaften

Siedepunkt: 112 · 112-115°/2mm
storage temp.: Sealed in dry,Room Temperature
InChI: 1S/C9H9NO4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3
SMILES: O=[N+]([O-])C(C=CC=C1)=C1CC(OC)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.