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2,6-Dichlorbenzaldehyd

2,6-Dichlorobenzaldehyde

HCID 6737
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Grundinformationen

CAS
83-38-5
Standard-SMILES
O=Cc1c(Cl)cccc1Cl
InChIKey
DMIYKWPEFRFTPY-UHFFFAOYSA-N
Summenformel
C7H4Cl2O
Durchschnittliche Molmasse
175,01 g/mol
Monoisotopische Masse
173,9639201

Überblick

Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2,6-Dichlorobenzaldehyde
IUPAC
2,6-dichlorobenzaldehyde
Lokaler Name
2,6-Dichlorbenzaldehyd
Englischer Name
2,6-Dichlorobenzaldehyde
Summenformel
C7H4Cl2O
Molmasse
175.01

Namen und Synonyme

2,6-DICHLOROBENZALDEHYDE83-38-5Benzaldehyde, 2,6-dichloro-MFCD000033072,6-dichloro benzaldehydeDTXSID5024970Benzaldehyde,6-dichloro-2,6-dichloro-benzaldehyde(2,6-dichlorophenyl)methanoneO,O'-DICHLOROBENZALDEHYDENSC-7193781ADM5611
Weitere Namen anzeigen
AURORA 14017AKOS BBS-000031702,6-DichlorobenzaldeLABOTEST-BB LT014609026-Dichlorobenzaldehyde2,6-Dichloobenzaldehyde2,6-Dichlor-Benzaldehyd2,6-dichloro-benzaldehyd
o,o'-Dichlorobenzaldehyde; NSC 7193;CCRIS 6014NSC 7193EINECS 201-472-2UNII-781ADM5611NSC71932,6dichloro-benzaldehyde2,6-dichloro -benzaldehyde

Datenbank-Bezeichner

CAS
83-38-5
PubChem CID
6737
DTXSID
DTXSID5024970
ChEMBL
CHEMBL1442731
UNII
781ADM5611
EC Number
201-472-2
Nikkaji
J60.295G

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
2,6
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
10
Formalladung
0
Komplexität
117

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzaldehydes
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point329 °F at 760 mmHg (NTP, 1992)
Melting Point158 to 160 °F (NTP, 1992)
Physical Description · 2 Einträge

Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)

Yellowish or off-white solid with a pungent odor; [CAMEO] Off-white hygroscopic powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
69 · 69-71 °C (lit.)
Siedepunkt
165 °C · 165°C
Dichte
1.3456 · 1.3456 (rough estimate)
Brechungsindex
1.5756 · 1.5756 (estimate)

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 (94.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzaldehyde, 2,6-dichloro-

REACH registered substance: 2,6-dichlorobenzaldehyde (EC: 201-472-2)

2,6-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

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

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

Hazards SummarySensitive to air, moisture, and light; Causes burns; Inhalation may cause chemical pneumonitis and pulmonary edema; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactive GroupAldehydes

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make pharmaceuticals, dyes, and other organic chemicals; [NTP]
General Manufacturing InformationBenzaldehyde, 2,6-dichloro-: ACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Dibenzoylperoxidα,α,2,6-TetrachlortoluolPyrethrine und Pyrethroide2,2'-Dimethyl-2,2'-azodipropiono-nitril2-Chlor-6-nitrotoluolWasserstoffperoxid2,6-Dichlortoluol4-NitrotoluolKaliumpermanganat2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidineAminoguanidin

Nachgelagerte Produkte

3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBALDEHYDE2,6-DICHLOROPHENETHYLISOCYANIDE(2,6-DICHLORO-3-NITRO)BENZYL ALCOHOL

Zugehörige Reaktionen

146
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 75202
HRID 75202als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 96073
HRID 96073als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 100155
HRID 100155als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 122825
HRID 122825als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 149180
HRID 149180als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 179275
HRID 179275als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 183768
HRID 183768als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 191540
HRID 191540als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
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Flammpunkt
135 °C · 135°C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
1 g/l · <1g/l insoluble
Aggregatzustand
Crystalline Powder
Farbe
White to light beige
Wasserlöslichkeit
0.1 g/100 · <0.1 g/100 mL at 23 ºC
BRN
386477 · 386477
Stabilität
Stable. Incompatible with strong oxidizing agents, strong bases. Air, light and moisture sensitive.
InChI
1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey
DMIYKWPEFRFTPY-UHFFFAOYSA-N
SMILES
[H]C(=O)c1c(Cl)cccc1Cl
CAS Datenbank
83 · 83-38-5(CAS DataBase Reference)
NIST chemische Informationen
2 · Benzaldehyde, 2,6-dichloro-(83-38-5)
EPA chemische Informationen
2 · Benzaldehyde, 2,6-dichloro- (83-38-5)
Reactivity Profile2,6-DICHLOROBENZALDEHYDE is incompatible with strong oxidizers and strong bases. It may also be incompatible with iron. (NTP, 1992)
Air and Water ReactionsSensitive to air, moisture and light. Insoluble in water.
Hazard Classes and CategoriesSkin Corr. 1B (94.2%)

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.

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29130000
risk_code
34-36/37/38
hazard_code
C,Xi
hazard_note
Corrosive
safety_code
26-27-28-36/37/39-45-37/39
hazard_class
8
packing_group
III
Speicherklasse
8A - Combustible corrosive hazardous materials
Hazard Classifications
Skin Corr. 1B
Dinatrium-5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-yliden)(2,6-dichlorphenyl)methyl]-3-methylsalicylat
2,6-Dichlorbenzoylchlorid
2,6-Difluorobenzaldehyde
2-Chlor-6-fluorbenzaldehyd
2,6-DICHLORO-N-HYDROXYBENZENECARBOXIMIDOYL CHLORIDE
2,6-Dichloro-3-nitrobenzaldehyde
1-(2,6-Dichlorphenyl)ethan-1-on
21H,23H-Porphin
3-(2,6-Dichlorphenyl)-5-methylisoxazol-4-carbonylchlorid
Dinatrium-5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-yliden)(2,6-dichlorphenyl)methyl]-3-methylsalicylat