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
Show more names
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
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
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
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- LogP
- 5.18 at · 5.18 at 25℃
- CAS DataBase Reference
- 13014 · 13014-24-9(CAS DataBase Reference)
- FDA UNII
- 79 ZZO7J7BA · 79ZZO7J7BA
- NIST Chemistry Reference
- 1 · Benzene, 1,2-dichloro-4-(trichloromethyl)-(13014-24-9)
- EPA Substance Registry System
- 3 · 3,4-Dichlorobenzotrichloride (13014-24-9)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
- RIDADR
- 1759 · 1759
- WGK Germany
- 3 · 3
- RTECS
- 5475000 · CZ5475000
- TSCA
- TSCA listed
- HS Code
- 2917399590 · 2917399590
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
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
Chemical: Benzene, 1,2-dichloro-4-(trichloromethyl)-
Status: Active Update: 14-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31917
Reactivity Profile
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
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, 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.
Personal Protective Equipment (PPE)
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
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- REACH Registrations
- Inactive
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Uses & manufacturing
Applications
General DescriptionSlightly opaque pale yellow liquid.
Suppliers55 total
Related reactions
Compound notes
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