HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

2,4-Dichlorophenyltrichloromethane

HCID 25607
New noteNew reactionRequest quotesPrint preview
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
13014-18-1
Standard SMILES
Clc1ccc(C(Cl)(Cl)Cl)c(Cl)c1
InChIKey
KZSNBJMYJWDVTK-UHFFFAOYSA-N
Molecular formula
C7H3Cl5
Average molar mass
264.4 g/mol
Monoisotopic mass
261.8677385

Overview

2,4,alpha,alpha,alpha-pentachlorotoluene is a white crystalline powder. (NTP, 1992)

Names & identifiers

Preferred name
2,4-Dichlorophenyltrichloromethane
IUPAC
2,4-dichloro-1-(trichloromethyl)benzene
English name
2,4-Dichlorobenzotrichloride
Molecular formula
C7H3Cl5
Molecular weight
264.36

Names & synonyms

13014-18-12,4-Dichloro-1-(trichloromethyl)benzene2,4-DichlorobenzotrichlorideBenzene, 2,4-dichloro-1-(trichloromethyl)-2,4-Dichlorophenyltrichloromethane1,3-Dichloro-4-(trichloromethyl)benzene2,4,alpha,alpha,alpha-Pentachlorotoluenealpha,alpha,alpha,2,4-PentachlorotolueneCCRIS 6087DTXSID3025839EINECS 235-868-13JE22G4JRY
Show more names
dichlorobenzotrichloride2,4-DCTCα,α,α,2,4-Pentachlorotoluene2,4-Dichlorobenzotrichloride >2,4-DICHLOROBENZOTRICHLORIDE 99+%2,4-Dichlor-1-(trichlormethyl)benzol2,4-dichloro-1-(trichloromethyl)-benzen
Toluene, alpha,alpha,alpha,2,4-pentachloro-NSC 403840BRN 0514239AI3-02376Toluene, .alpha.,.alpha.,.alpha.,2,4-pentachloro-NSC-403840DTXCID605839EC 235-868-1

Database identifiers

CAS
13014-18-1
PubChem CID
25607
DTXSID
DTXSID3025839
ChEMBL
CHEMBL1560541
UNII
3JE22G4JRY
EC Number
235-868-1
Nikkaji
J140.754F

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
152

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point115 to 120 °F (NTP, 1992)
Physical Description2,4,alpha,alpha,alpha-pentachlorotoluene is a white crystalline powder. (NTP, 1992)

Physicochemical properties

Melting point
49 °C · 49°C
Boiling point
288 °C · 288°C
Density
1.5935 · 1.5935 (estimate)
vapor pressure
0.2 · 0.2-4.3Pa at 20-50℃
refractive index
1.5939 · 1.5939 (estimate)
Flash point
112 ℃ · >112℃
storage temp.
2 · 2-8°C
solubility
Chloroform (Sparingly), Methanol (Slightly)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzene, 2,4-dichloro-1-(trichloromethyl)-

Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5716

DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include skin and eye irritation.
Reactive GroupHalogenated Organic Compounds
Reactivity Profile · 1 item

Simple aromatic halogenated organic compounds, such as 2,4,ALPHA,ALPHA,ALPHA-PENTACHLOROTOLUENE, 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.

Air and Water ReactionsThis chemical may be sensitive to exposure to moisture. Insoluble in water.

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 2,4-dichloro-1-(trichloromethyl)-: INACTIVE

Applications

Uses2,4-Dichlorobenzotrichloride is used in the synthesis of aromatic acid chlorides.

General DescriptionWhite crystalline powder.

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
form
Solid
color
White to Off-White
LogP
5.18 at · 5.18 at 25℃
CAS DataBase Reference
13014 · 13014-18-1(CAS DataBase Reference)
FDA UNII
3 JE22G4JRY · 3JE22G4JRY
EPA Substance Registry System
2 · 2,4-Dichlorobenzotrichloride (13014-18-1)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements
34 · 34
Safety Statements
26 · 26-36/37/39
RIDADR
3261 · 3261
RTECS
5475020 · CZ5475020
TSCA
TSCA listed
HS Code
2903998090 · 2903998090
Toxicity
333 mg/plate · mmo-sat 333 mg/plate EMMUEG 19(Suppl 21),2,92
REACH Registrations
Inactive
Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety & protection

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

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 item

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) · 1 item

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)

Safety data

tsca
TSCA listed
rtecs
CZ5475020
ridadr
3261
hs_code
2903998090
Toxicity
mmo-sat 333 mg/plate EMMUEG 19(Suppl 21),2,92
risk_code
34
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Hazard statements
H315-H319
REACH Registrations
Inactive
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313