p-Chlorbenzotrichlorid

4-Chlorobenzotrichloride

HCID 21277CAS 5216-25-1

Grundinformationen

Standard-SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1
InChIKey
LVZPKYYPPLUECL-UHFFFAOYSA-N
Summenformel
C7H4Cl4
Durchschnittliche Molmasse
229,9 g/mol
Monoisotopische Masse
227,90671085

Überblick

p-a,a,a-Tetrachlorotoluene can cause cancer according to The Environmental Protection Agency (EPA).

Namen und Bezeichner

Bevorzugter Name
4-Chlorobenzotrichloride
IUPAC
1-chloro-4-(trichloromethyl)benzene
Lokaler Name
p-Chlorbenzotrichlorid
Englischer Name
4-Chlorobenzotrichloride
Summenformel
C7H4Cl4
Molmasse
229.92

Namen und Synonyme

4-CHLOROBENZOTRICHLORIDE5216-25-11-Chloro-4-(trichloromethyl)benzeneBenzene, 1-chloro-4-(trichloromethyl)-p-ChlorophenyltrichloromethaneDTXSID2027593alpha,alpha,alpha-Trichloro-4-chlorotoluene1UP9GJU33Sp,alpha,alpha,alpha-TetrachlorotolueneToluene, p,alpha,alpha,alpha-tetrachloro-DTXCID607593AAATCT
Weitere Namen anzeigen
α,α,α,4-tetrachlorotoluenePCTCorobenzotrichLTetrachlorotoluene4-Chlorobenzotrichlo4-Chlorbenzotrichloridp-Chlorbenzotrichlorid4-chlorobenzotrichloridClotrimazole Impurity 5
4,alpha,alpha,alpha-TetrachlorotolueneRefChem:98556P-CHLORO-ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE226-009-1p-Chlorobenzotrichloridealpha,alpha,alpha,4-Tetrachlorotoluenep-TrichloromethylchlorobenzeneFluoxetine Impurity 12

Datenbank-Bezeichner

CAS
5216-25-1
PubChem CID
21277
DTXSID
DTXSID2027593
ChEMBL
CHEMBL2137820
UNII
1UP9GJU33S
EC Number
226-009-1
Nikkaji
J38.180B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,6
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesDensity
Boiling Point473 °F at 760 mmHg (NTP, 1992)
Vapor Pressure0.03 [mmHg]
Physical Description · 2 Einträge

Alpha, alpha, alpha, para-tetrachlorotoluene is a clear colorless liquid.

Colorless to yellow liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt
5.8 °C · 5.8 °C
Siedepunkt
245 °C · 245 °C(lit.)
Dichte
1.495 g/mL · 1.495 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.572(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
2 · Storage temp. 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302+H312 (44.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzene, 1-chloro-4-(trichloromethyl)-

Hazard Traits - Carcinogenicity

Status: Active Update: 26-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2193

Other Safety InformationIMAP assessments - Benzene, 1-chloro-4-(trichloromethyl)-: Human health tier II assessment
DOT LabelCorrosive
Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Corrosive; Lachrymator. (NTP, 1992)
Hazards Summary · 1 Eintrag

Lachrymator; [CAMEO] A skin and respiratory tract irritant; [ESIS] An irritant; Harmful if skin contact or ingested; May cause chemical pneumonitis after inhalation of high concentrations; May cause cancer based on animal evidence; [MSDSonline]

Sicherheit und Schutzausrüstung

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam 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.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong 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 EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Toxicity DataLC50 (rat) = 125 mg/m3
RAIS Toxicity Values · 6 Einträge

5e-05

SCREEN Current

6e-05

SCREEN Current

0.0006

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 Einträge

p-α,α,α-Tetrachlorotoluene

6 x 10^-5 mg/kg-day

6 x 10^-4 mg/kg-day

5 x 10^-5 mg/m^3

PDF Document

Likely to be carcinogenic to humans

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

4.30e-02

2.00e-01

1.70e-03

5.00e+00

5.7e-06

1.60e+01

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 Einträge

4.30e+00

2.00e+01

1.70e-01

5.00e+00

1.60e+01

6e-05

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1760 8/PG 2
hs_code
29039990
RTECS-Nr.
XT8580000
risk_code
45-21/22-37/38-48/23-62

Chemie und Industrie

Verwendung und Herstellung

UsesIntermediate for pharmaceuticals, dyes, and other organic chemicals; [Hawley]
General Manufacturing InformationBenzene, 1-chloro-4-(trichloromethyl)-: ACTIVE

Anwendungen

Verwenden4-Chlorobenzotrichloride is a useful reactant in organic synthesis.

Anbieter50 Anbieter

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]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]

Zugehörige Reaktionen

9

Verknüpfte Notizen

Wird geladen…