4-Chlorbenzaldehyd

4-Chlorobenzaldehyde

HCID 7726CAS 104-88-1

Grundinformationen

Standard-SMILES
O=Cc1ccc(Cl)cc1
InChIKey
AVPYQKSLYISFPO-UHFFFAOYSA-N
Summenformel
C7H5ClO
Durchschnittliche Molmasse
140,56 g/mol
Monoisotopische Masse
140,0028925

Namen und Bezeichner

Bevorzugter Name
4-Chlorobenzaldehyde
IUPAC
4-chlorobenzaldehyde
Lokaler Name
4-Chlorbenzaldehyd
Englischer Name
4-Chlorobenzaldehyde
Summenformel
C7H5ClO
Molmasse
140.57

Namen und Synonyme

4-Chlorobenzaldehyde104-88-1P-CHLOROBENZALDEHYDEBenzaldehyde, 4-chloro-Benzaldehyde, p-chloro-p-ChlorobenzenecarboxaldehydePARA-CHLOROBENZALDEHYDEDTXSID2021860E67727UP9ZNSC-2078DTXCID501860RefChem:98544
Weitere Namen anzeigen
AQUEOUS AMMONIAAMMONIA WATERAMMONIA GASAMMONIUM ION CHROMATOGRAPHY STANDARDorobenzaLAMMONIA NO 1AMMONIA NO 2
203-247-44-chloro-benzaldehyde4-Chlorobenzenaldehyde4-chloro benzaldehydeMFCD000033794-ChlorbenzaldehydCCRIS 857PCAD

Datenbank-Bezeichner

CAS
104-88-1
PubChem CID
7726
DTXSID
DTXSID2021860
ChEMBL
CHEMBL1474
UNII
E67727UP9Z
EC Number
203-247-4
Nikkaji
J96.206F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Density1.196 at 142 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 67.1 °F (NTP, 1992)
Flash Point190 °F (NTP, 1992)
Boiling Point415 to 417 °F at 760 mmHg (NTP, 1992)
Melting Point111 to 117 °F (NTP, 1992)
Vapor Pressure0.18 [mmHg]

Physikochemische Eigenschaften

Schmelzpunkt
46 °C · 46 °C
Siedepunkt
213 · 213-214℃
Dichte
1.196 · 1.196
Dampfdichte
0.6 · 0.6 (vs air)
Dampfdruck
8.75 atm · 8.75 atm ( 21 °C)
Brechungsindex
1.555 · 1.5550 (estimate)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (99.6%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (76.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (99.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (17.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (81.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 227 reports by companies from 11 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

Regulatory Information · 3 Einträge

Chemical: Benzaldehyde, 4-chloro-

Status: Active Update: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2167;Status: Active Update: 30-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8298

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

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

SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes and mucous membranes.;ACUTE/CHRONIC HAZARDS: This chemical may be harmful by inhalation, ingestion or skin absorption. It is an irritant of the skin, eyes and mucous membranes. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide and hydrogen chloride gas. (NTP, 1992)

Hazards Summary · 1 Eintrag

No mortalities observed in rats exposed by inhalation to 321 mg/m3 for 4 hours or 250 mg/m3 for 7 hours; Causes mild to severe skin and mild eye irritation in rabbits; [IUCLID] Causes altered sleep time (including change in righting reflex), somnolence, and excitement in oral lethal-dose studies of mice and rats; [RTECS] A skin, eye, and mucous membrane irritant; [NTP] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Reactive GroupAldehydes;Hydrocarbons, Aromatic;Aryl Halides

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

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.;STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992)

Isolation and Evacuation · 1 Eintrag

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

Toxicity DataLC (rat) > 473 mg/m3/4hr

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzaldehyde, 4-chloro-

Status: Active Update: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2167;Status: Active Update: 30-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8298

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

Sicherheitsdaten

F
8-9
wgk
2
tsca
TSCA listed
ridadr
UN 1219 3/PG 2
hs_code
29130000
RTECS-Nr.
CU5076000

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as an intermediate for dyes, pharmaceuticals, and other organic compounds; [NTP] Used as an intermediate in chemical manufacturing; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationBenzaldehyde, 4-chloro-: ACTIVE

Anwendungen

Verwenden4-Chlorobenzaldehyde is used as an intermediate for the manufacture of dyestuffs, optical brighteners, pharmaceuticals, agricultural chemicals and metal finishing products.

Darstellung · 1 Eintrag

synthetische4-Chlorobenzaldehyde can be obtained by chlorinated hydrolysis of p-chlorotoluene: add p-chlorotoluene and phosphorus trichloride to the reaction pot, raise the temperature to 155°C under light and pass chlorine. Control the temperature at 160-170℃ and pass chlorine to the calculated amount to obtain the chlorination solution. Add it to concentrated sulfuric acid with stirring, and stir for 5h at room temperature. let it stand and stratify, take the lower layer into ice water to crystallize, and filter it when it is cold to below 5℃. The filter cake was washed with ice water to obtain the crude product, distilled under reduced pressure and collected 108-111℃ (3.33kPa) fraction to obtain p-chlorobenzaldehyde.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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