1,3-Dichloro-2-(dichloromethyl)benzene

HCID 6671

Basic information

CAS
81-19-6
Standard SMILES
Clc1cccc(Cl)c1C(Cl)Cl
InChIKey
QQPXXHAEIGVZKQ-UHFFFAOYSA-N
Molecular formula
C7H4Cl4
Average molar mass
229.9 g/mol
Monoisotopic mass
227.90671085

Overview

Alpha,alpha,2,6-tetrachlorotoluene is a colorless liquid.

Names & identifiers

Preferred name
1,3-Dichloro-2-(dichloromethyl)benzene
IUPAC
1,3-dichloro-2-(dichloromethyl)benzene
English name
2,6-Dichlorobenzal chloride
Molecular formula
C7H4Cl4
Molecular weight
229.92

Names & synonyms

2,6-Dichlorobenzal chloride1,3-Dichloro-2-(dichloromethyl)benzeneALPHA,ALPHA,2,6-TETRACHLOROTOLUENE2,6-Dichlorobenzylidene chloridealpha,alpha-2,6-TetrachlorotolueneBenzene, 1,3-dichloro-2-(dichloromethyl)-alpha,alpha2,6-TetrachlorotolueneEINECS 201-332-0NSC 798667P4LG60H4SNSC-79866UNII-7P4LG60H4S
Show more names
Isoconazole Impurity 9Isoconazole Impurity 5,,2,6-TetrachlorotolueneA,A,2,6-TETRACHLOROTOLUENEα,α,2,6-Tetrachlorotoluene2,6,α,α-Tetrachlorotoluene2,6,a,a-Tetrachlorotoluene.2,6-Dichlorobenzyldichloride2,6-Dichlorobenzo dichloride
DTXSID8021773EC 201-332-0.alpha.,.alpha.,2,6-TetrachlorotolueneBenzene, 2,6-dichloro-1-(dichloromethyl)RefChem:196779DTXCID8017732,6-DICHLOROBENZODICHLORIDE1,3-DICHLORO-2-(DICHLOROMETHYL)-BENZENE

Database identifiers

CAS
81-19-6
PubChem CID
6671
DTXSID
DTXSID8021773
UNII
7P4LG60H4S
EC Number
201-332-0
Nikkaji
J79.426K

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Physical DescriptionAlpha,alpha,2,6-tetrachlorotoluene is a colorless liquid.

Physicochemical properties

Boiling point
124 · 124-126 °C16 mm Hg(lit.)
Density
1.52 g/mL · 1.520 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.588
solubility
Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
form
clear liquid
color
Colorless to Almost colorless

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (93%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzene, 1,3-dichloro-2-(dichloromethyl)-

Status: Active Update: 25-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12005

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupHalogenated Organic Compounds
Reactivity Profile · 1 item

Simple aromatic halogenated organic compounds, such as ALPHA,ALPHA,2,6-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.

Safety & protection

Fire FightingA fire in your laboratory involving this chemical should be extinguished 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, 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 alcohol 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 153 [Substances - Toxic and/or Corrosive (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.

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29036990
risk_code
34-50/53-20/22
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,3-dichloro-2-(dichloromethyl)-: ACTIVE

Applications

Usesa,a,2,6-Tetrachloro-toluene (Isoconazole Impurity 9) is an impurity of Isoconazole (I798250), an antibacterial and antifungal agent used to treat vaginitis.

General DescriptionColorless liquid.

Suppliers70 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]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

Related reactions

0 records

No reaction records under the current filter.

Compound notes

Loading…