Methyl 2-chloro-5-nitrobenzoate
Grundinformationen
- CAS
6307-82-0- Standard-SMILES
COC(=O)c1cc([N+](=O)[O-])ccc1Cl- InChIKey
VCYWZLGOWNCJNJ-UHFFFAOYSA-N- Summenformel
- C8H6ClNO4
- Durchschnittliche Molmasse
- 215,59 g/mol
- Monoisotopische Masse
- 214,9985354
Namen und Bezeichner
- Bevorzugter Name
- Methyl 2-chloro-5-nitrobenzoate
- IUPAC
- methyl 2-chloro-5-nitrobenzoate
- Englischer Name
- Methyl 2-chloro-5-nitrobenzoate
- Summenformel
- C8H6ClNO4
- Molmasse
- 215.59
Namen und Synonyme
Methyl 2-chloro-5-nitrobenzoate6307-82-0RefChem:814306613-139-22-Chloro-5-nitrobenzoic acid methyl esterBENZOIC ACID, 2-CHLORO-5-NITRO-, METHYL ESTERMFCD001845872-chloro-5-nitro-benzoic acid methyl esterMethylester kyseliny 2-chlor-5-nitrobenzoove [Czech]SCHEMBL422653DTXSID90212397NSC-44287
Weitere Namen anzeigen
RARECHEM AL BF 0191Methyle2-chloro-5-nitrobenzoateMethyl 2-Chloro-5-nitrobenzoate >5-Nitro-2-chlorobenzoic acid methyl2-Chloro-5-nitrobenzoic acid methyl2-chloro-5-nitro-benzoicacimethylester4-Chloro-3-(methoxycarbonyl)nitrobenzene
SY007297C17326W-0299Z19718166Methyl 2-chloro-5-nitrobenzenecarboxylateBRN 1966320Methyl2-Chloro-5-nitrobenzoateMethylester kyseliny 2-chlor-5-nitrobenzoove
Datenbank-Bezeichner
- CAS
6307-82-0- PubChem CID
- 22754
- DTXSID
DTXSID90212397- ChEMBL
CHEMBL2260451、CHEMBL5583872- UNII
- L7RN5S2SA7
- EC Number
- 613-139-2
- Nikkaji
- J47.495I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 72,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 240
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-73 °C(lit.)
- Siedepunkt
- 316.7 · 316.7±22.0 °C(Predicted)
- Dichte
- 1.4928 · 1.4928 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- storage temp.
- Store at room temperature
- Aggregatzustand
- Crystalline Powder
- Farbe
- Cream
- Wasserlöslichkeit
- Soluble in methanol. Insoluble in water.
- CAS Datenbank
- 6307 · 6307-82-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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 6 reports by companies from 3 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 CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2A (100%)；STOT SE 3 (83.3%)
Sicherheitsdaten
- wgk
- 2
- hs_code
- 2921490090
- RTECS-Nr.
- DG5426500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenMethyl 2-chloro-5-nitrobenzoate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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