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2,4-Dichlorbenzaldehyd

2,4-Dichlorobenzaldehyde

HCID 13404
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Grundinformationen

CAS
874-42-0
Standard-SMILES
O=Cc1ccc(Cl)cc1Cl
InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N
Summenformel
C7H4Cl2O
Durchschnittliche Molmasse
175,01 g/mol
Monoisotopische Masse
173,96392011

Überblick

2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2,4-Dichlorobenzaldehyde
IUPAC
2,4-dichlorobenzaldehyde
Lokaler Name
2,4-Dichlorbenzaldehyd
Englischer Name
2,4-Dichlorobenzaldehyde
Summenformel
C7H4Cl2O
Molmasse
175.01

Namen und Synonyme

2,4-DICHLOROBENZALDEHYDE874-42-0Benzaldehyde, 2,4-dichloro-CCRIS 6013DTXSID1022130NSC 8762EINECS 212-861-1UNII-Z08QL2124RAI3-16063Z08QL2124RNSC-8762DTXCID302130
Weitere Namen anzeigen
DICHLOROBENZALDEHYDE2,4-DCADAKOS BBS-000031962,4-DichlorobenzaldeMiconazole Impurity 192,4-dichloro-benzaldehyd4-DichlorobenzenaldehydeDICHLOROBENZALDEHYDE(2,4-)2,4-Dichlorobenzenaldehyde
O,P-DICHLOROBENZALDEHYDEDICHLOROBENZALDEHYDE, 2,4-2,4-DICHLOROPHENYLCARBOXALDEHYDERefChem:82375212-861-1InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4YSFBEAASFUWWHU-UHFFFAOYSA-N2,4-dichloro-benzaldehyde

Datenbank-Bezeichner

CAS
874-42-0
PubChem CID
13404
DTXSID
DTXSID1022130

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
10
Formalladung
0
Komplexität
127

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density1.33 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point451 °F at 760 mmHg (NTP, 1992)
Melting Point156 to 163 °F (NTP, 1992)
Physical Description2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
64 · 64-69 °C (lit.)
Siedepunkt
233 °C · 233 °C (lit.)

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 · 4 Einträge

Danger

H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzaldehyde, 2,4-dichloro-

2,4-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis compound is combustible. (NTP, 1992)
Health Hazards · 1 Eintrag

SYMPTOMS: Symptoms of exposure to this chemical are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, shortness of breath, headache, laryngitis, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.

Reactive GroupAldehydes
Reactivity Profile2,4-DICHLOROBENZALDEHYDE is incompatible with iron, oxygen and oxygen-containing materials. It is also incompatible with strong oxidizers and strong bases. (NTP, 1992)
Air and Water Reactions

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 2,4-dichloro-: ACTIVE

Anwendungen

Verwenden2,4-Dichlorobenzaldehyde is used in the synthesis of platelet aggregation inhibitors. Also used in the preparation of novel Schiff bases containing quinazolinone rings.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2,4-Dichlor-1-(dichlormethyl)benzol2,4-Pentandion2,4-DichlortoluolChlorMetallic oxidesα,2,4-Trichlortoluol2,5-DichlorobenzaldehydeMethanediol, (2,4-dichlorophenyl)-, diacetate(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine2,4-Dichlortoluol-α-thiol2,4-dichlorphenylessigsaeure2,4-Dichlorobenzaldehyde oxime2,4-Dichlor-1-iodbenzol

Zugehörige Reaktionen

204
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 9050
HRID 9050als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 18646
HRID 18646als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 18647
HRID 18647als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 22724
HRID 22724als Eduktuspto-grants-2005_02
Reaktionsgleichung von HRID 31179
HRID 31179als Eduktuspto-grants-2008_09
Reaktionsgleichung von HRID 36898
HRID 36898als Eduktuspto-grants-1995_05
Reaktionsgleichung von HRID 107959
HRID 107959als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 117957
HRID 117957als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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ChEMBL
CHEMBL1531235
UNII
Z08QL2124R
EC Number
212-861-1
Nikkaji
J30.720C
Dichte
1.3456 · 1.3456 (rough estimate)
Brechungsindex
1.5756 · 1.5756 (estimate)
Flammpunkt
135 °C · 135 °C
storage temp.
30 °C · Store below +30°C.
Aggregatzustand
Crystalline Powder, Crystals and/or Chunks
Farbe
Light yellow to beige
Wasserlöslichkeit
0.1 g/100 · <0.1 g/100 mL at 24 ºC
BRN
471601 · 471601
InChI
1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N
SMILES
[H]C(=O)c1ccc(Cl)cc1Cl
CAS Datenbank
874 · 874-42-0(CAS DataBase Reference)
NIST chemische Informationen
2 · Benzaldehyde, 2,4-dichloro-(874-42-0)
EPA chemische Informationen
2 · Benzaldehyde, 2,4-dichloro- (874-42-0)
Sensitive to light. May also be sensitive to prolonged exposure to air and moisture. Insoluble in water.
Hazard Classes and CategoriesSkin Corr. 1C (96.2%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29130000
risk_code
34-51/53-36/37/38
Toxizität
LD50 orally in Rabbit: 3470 mg/kg
hazard_code
C,N,Xi
hazard_note
Corrosive
safety_code
26-36/37/39-45-61-37/39
hazard_class
8
packing_group
III
Speicherklasse
8A - Combustible corrosive hazardous materials
Hazard Classifications
Aquatic Chronic 2Eye Dam. 1Skin Corr. 1B
Selbstentzündungstemperatur
440 °C
2,4-Dichlorbenzylalkohol
Ameisensure
2,4-Dichlorbenzoylchlorid

Nachgelagerte Produkte

DiniconazoleDiclobutrazol2,4-Dichloro-5-nitrobenzalehyde2,4-Dichlorbenzoesure2,4-Difluorbenzaldehyd