Grundinformationen
- Standard-SMILES
O=C(Cl)c1cccc([N+](=O)[O-])c1- InChIKey
NXTNASSYJUXJDV-UHFFFAOYSA-N- Summenformel
- C7H4ClNO3
- Durchschnittliche Molmasse
- 185,56 g/mol
- Monoisotopische Masse
- 184,98797067
Überblick
M-nitrobenzoyl chloride is a yellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.
Namen und Bezeichner
- Bevorzugter Name
- Benzoyl chloride, 3-nitro-
- IUPAC
- 3-nitrobenzoyl chloride
- Lokaler Name
- 3-Nitrobenzoylchlorid
- Englischer Name
- m-Nitrobenzoyl chloride
- Summenformel
- C7H4ClNO3
- Molmasse
- 185.56
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
121-90-4- PubChem CID
- 8495
- DTXSID
DTXSID9025740- ChEMBL
CHEMBL1517721- UNII
- QAX5Y35ZPW
- EC Number
- 204-505-9
- Nikkaji
- J36.096A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 62,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 201
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 31 · 31-34 °C(lit.)
- Siedepunkt
- 275 · 275-278 °C(lit.)
- Dichte
- 1.42 · 1.42
- Brechungsindex
- 1.581 · 1.5810 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- Löslichkeit
- soluble in Ether,Benzene,Toluene
- Aggregatzustand
- Low Melting Solid
- Farbe
- Brown
- Wichte
- 1.59 · 1.59
- Wasserlöslichkeit
- decomposes
- BRN
- 777186 · 777186
- InChI
- 1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H
- InChIKey
- NXTNASSYJUXJDV-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1cccc(c1)C(Cl)=O
- CAS Datenbank
- 121 · 121-90-4(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · Benzoyl chloride, 3-nitro-(121-90-4)
- EPA chemische Informationen
- m-Nitrobenzoyl chloride (121-90-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Health Hazards
ACUTE/CHRONIC HAZARDS: This chemical is unstable at room temperature or when exposed to sources of ignition. When heated to decomposition it emits highly toxic fumes. It will react with water or steam to produce toxic and corrosive fumes. (NTP, 1992)
Reactivity Profile
M-NITROBENZOYL CHLORIDE is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Sicherheitsdaten
- F
- 9-19-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2923 8/PG 3
- hs_code
- 29163900
- RTECS-Nr.
- DM6646000
- risk_code
- 5-21-34-37
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-7/9-38
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenManufacture of dyes for fabrics and color photography, intermediate in preparation of pharmaceuticals.
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