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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 121
Experimentelle und physikochemische Eigenschaften
Physical Description
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
- Löslichkeit
- Chloroform (Sparingly), DMSO (Sparingly)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Wasserlöslichkeit
- decomposes
- BRN
- 1866549 · 1866549
- Henry's Law Constant
- 5.1 · 5.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- CAS Datenbank
- 5216 · 5216-25-1(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-chloro-4-(trichloromethyl)-(5216-25-1)
- EPA chemische Informationen
- 4 · 4-Chlorobenzotrichloride (5216-25-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
Chemical: Benzene, 1-chloro-4-(trichloromethyl)-
Hazard Traits - Carcinogenicity
Status: Active Update: 26-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2193
Hazards Summary
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]
Reactivity Profile
Simple aromatic halogenated organic compounds, such as ALPHA, ALPHA, ALPHA, PARA-TETRACHLOROTOLUENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Acute toxicity (Oral) - Category 4
Carc. 1B
Sicherheit und Schutzausrüstung
First Aid
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
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.
Toxikologische Informationen
RAIS Toxicity Values
5e-05
SCREEN Current
6e-05
SCREEN Current
0.0006
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
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
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
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
- Toxizität
- LD50 orl-rat: 820 mg/kg EPASR* 8EHQ-0281-0360
- hazard_code
- T
- safety_code
- 53-45
- hazard_class
- 8
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden4-Chlorobenzotrichloride is a useful reactant in organic synthesis.
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