3,4-Dichlorophenyltrichloromethane

HCID 25608

Basic information

CAS
13014-24-9
Standard SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1Cl
InChIKey
ATYLRBXENHNROH-UHFFFAOYSA-N
Molecular formula
C7H3Cl5
Average molar mass
264.4 g/mol
Monoisotopic mass
261.8677385

Overview

3,4,alpha,alpha,alpha-pentachlorotoluene is a slightly opaque pale yellow liquid. (NTP, 1992)

Names & identifiers

Preferred name
3,4-Dichlorophenyltrichloromethane
IUPAC
1,2-dichloro-4-(trichloromethyl)benzene
English name
3,4-Dichlorobenzotrichloride
Molecular formula
C7H3Cl5
Molecular weight
264.36

Names & synonyms

3,4-Dichlorobenzotrichloride13014-24-91,2-Dichloro-4-(trichloromethyl)benzene3,4-DichlorophenyltrichloromethaneBenzene, 1,2-dichloro-4-(trichloromethyl)-1,2-Dichloro-4-trichloromethylbenzene3,4-DichlorotrichloromethylbenzeneCCRIS 6088DTXSID20258403,4,alpha,alpha,alpha-Pentachlorotoluenealpha,alpha,alpha,3,4-PentachlorotolueneEINECS 235-869-7
Show more names
3,4-DCTCPENTACHLOROTOLUENEα,α,α,3,4-pentachlorotoluene3,4-DICHLOROTRICHLOROTOLUENEa,a,a,3,4-Pentachlorotoluenetoluene,α,α,α,3,4-pentachloro-3,4-Dichlorobenzotrichloride>3,4-DICHLOROBENZOTRICHLORIDE 98+%3,4-Dichlorobenzotrichloride 97+%
79ZZO7J7BANSC 163901BRN 2444802AI3-02582Toluene, .alpha.,.alpha.,.alpha.,3,4-pentachloro-Toluene, alpha,alpha,alpha,3,4-pentachloro-NSC-163901DTXCID305840

Database identifiers

CAS
13014-24-9
PubChem CID
25608
DTXSID
DTXSID2025840
ChEMBL
CHEMBL1567313
UNII
79ZZO7J7BA
EC Number
235-869-7
Nikkaji
J140.752J

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
Density1.591 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point541.6 °F at 760 mmHg (NTP, 1992)
Melting Point78.4 °F (NTP, 1992)

Physicochemical properties

Melting point
25.8 °C · 25.8°C
Boiling point
283.15 °C · 283.15°C
Density
1.576 g/mL · 1.576 g/mL at 25 °C(lit.)
vapor pressure
1.333 hPa · 1.333hPa at 15-50℃
refractive index
20 · n20/D >1.5890(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

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

Status: Active Update: 14-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31917

DOT LabelCorrosive
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include skin and eye irritation. (NTP, 1992)
Reactive GroupHalogenated Organic Compounds
Reactivity Profile · 1 item

Simple aromatic halogenated organic compounds, such as 3,4,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.

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: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, 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 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

wgk
3
tsca
TSCA listed
rtecs
CZ5475000
ridadr
1759
hs_code
2917399590
Signal word
Danger

Chemistry & industry

Uses & manufacturing

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

Applications

General DescriptionSlightly opaque pale yellow liquid.

Suppliers55 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

Related reactions

4 records

Compound notes

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