m-Toluoylchlorid

3-Methylbenzoyl chloride

HCID 74375CAS 1711-06-4

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Grundinformationen

Standard-SMILES: Cc1cccc(C(=O)Cl)c1
InChIKey: YHOYYHYBFSYOSQ-UHFFFAOYSA-N
Summenformel: C8H7ClO
Durchschnittliche Molmasse: 154,59 g/mol
Monoisotopische Masse: 154,01854252

Namen und Bezeichner

Bevorzugter Name: 3-Methylbenzoyl chloride
IUPAC: 3-methylbenzoyl chloride
Lokaler Name: m-Toluoylchlorid
Englischer Name: 3-Methylbenzoyl chloride
Summenformel: C8H7ClO
Molmasse: 154.59

Namen und Synonyme

3-Methylbenzoyl chloridem-Toluoyl chloride1711-06-4Benzoyl chloride, 3-methyl-m-toluenecarbonyl chlorideEINECS 216-976-8UNII-W2VJW4350KNSC 97207BRN 0878419meta-toluoyl chlorideCCRIS 8619W2VJW4350K

Weitere Namen anzeigen

m-ToLToluoyl chloridetoluoylchloride3-ToluylChloride3-toluoylchlorideM-TOLUYL CHLORIDE3-Toluoyl chloridem-Toluoyl chloride,99%

NSC-97207DTXSID00619054-09-00-01716 (Beilstein Handbook Reference)RefChem:94836DTXCID8035479216-976-8InChI=1/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1HYHOYYHYBFSYOSQ-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 1711-06-4
PubChem CID: 74375
DTXSID: DTXSID0061905
UNII: W2VJW4350K
EC Number: 216-976-8
Nikkaji: J32.726C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: -23 °C · -23°C
Siedepunkt: 86 °C/5 · 86 °C/5 mmHg (lit.)
Dichte: 1.173 g/mL · 1.173 g/mL at 25 °C (lit.)
Brechungsindex: 1.5475 · 1.5475-1.5495
Flammpunkt: 76 °C · 76 °C
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: Liquid
Wichte: 1.17 · 1.17
Farbe: Clear colorless to light brown
Wasserlöslichkeit: Reacts with water.
BRN: 878419 · 878419
InChI: 1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKey: YHOYYHYBFSYOSQ-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)C(Cl)=O
CAS Datenbank: 1711 · 1711-06-4(CAS DataBase Reference)
NIST chemische Informationen: 3 · Benzoyl chloride, 3-methyl-(1711-06-4)
EPA chemische Informationen: 3 · Benzoyl chloride, 3-methyl- (1711-06-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 09-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24562

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: 3265
hs_code: 29163990
RTECS-Nr.: DM6644000
risk_code: 34-36/37
hazard_code: C
safety_code: 24/25-45-36/37/39-27-26-23
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoyl chloride, 3-methyl-: ACTIVE

Anwendungen

Verwendenm-Toluoyl chloride has been used to derivatize the C1-C4 aliphatic amines for their determination in air by HPLC. It has been used in determination of atmospheric ammonia by denuder-sampling and HPLC-UV detection.