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
Show more names
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
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
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
- InChIKey
- QQPXXHAEIGVZKQ-UHFFFAOYSA-N
- CAS DataBase Reference
- 81 · 81-19-6(CAS DataBase Reference)
- FDA UNII
- 7 P4LG60H4S · 7P4LG60H4S
- NIST Chemistry Reference
- 1 · Benzene, 1,3-dichloro-2-(dichloromethyl)-(81-19-6)
- EPA Substance Registry System
- 2 · 2,6-Dichlorobenzal chloride (81-19-6)
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H400
- Precautionary statements
- 273 · P273-P280-P305+P351+P338-P310
- Hazard Codes
- C,N
- Risk Statements
- 34 · 34-50/53-20/22
- Safety Statements
- 26 · 26-36/37/39-45-60-61
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29036990 · 29036990
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
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
Chemical: Benzene, 1,3-dichloro-2-(dichloromethyl)-
Status: Active Update: 25-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12005
Reactivity Profile
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
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 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.
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
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-60-61
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H400
- REACH Registrations
- Inactive
- Precautionary statements
- P273-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers70 total
Related reactions
No reaction records under the current filter.
Compound notes
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