Basic information
- CAS
719-32-4- Standard SMILES
O=C(Cl)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl- InChIKey
YJIRZJAZKDWEIJ-UHFFFAOYSA-N- Molecular formula
- C8Cl6O2
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 337.80294532
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrachloroterephthaloyl chloride
- IUPAC
- 2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl chloride
- English name
- 2,3,5,6-Tetrachloroterephthaloyl chloride
- Molecular formula
- C8Cl6O2
- Molecular weight
- 340.8
Names & synonyms
2,3,5,6-Tetrachloroterephthaloyl dichloride719-32-4Tetrachloroterephthaloyl chloride2,3,5,6-TETRACHLOROTEREPHTHALOYL CHLORIDETetrachloroterephthaloyl dichlorideTetrachloroterephthalic dichlorideTerephthaloyl chloride, tetrachloro-Perchloroterephthaloyl chloride1,4-Benzenedicarbonyl dichloride, 2,3,5,6-tetrachloro-CM96O90UX1HSDB 5749EINECS 211-947-6
Show more names
perchloroterephthaloylchloridetetrachloro-terephthaloylchloridtetrachloroterephthalicdichloridetetrachloroterephthaloyldichlorideTETRACHLORO TEREPHTHALOYL CHLORIDETetrachloroterephthalic acid dichloride2,3,5,6-Tetrachloroterephthalic acid dichloride2,3,5,6-tetrachloro-4-benzenedicarbonyldichloride
NSC-141495NSC 1414952,3,5,6-TETRACHLOROTEREPHTHALIC DICHLORIDE2,3,5,6-TETRACHLOROTEREPHTHALOYL CHLORIDE [HSDB]RefChem:441773Terephthaloyl chloride, tetrachloro1,4Benzenedicarbonyl dichloride, 2,3,5,6tetrachloro211-947-6
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionSolid; [MSDSonline]
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 382.8 · 382.8±42.0 °C(Predicted)
- Density
- 1.793 · 1.793±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Henry's Law Constant
- 1 · 1.0×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- CAS DataBase Reference
- 719 · 719-32-4(CAS DataBase Reference)
- FDA UNII
- 96 O90UX1 · CM96O90UX1
- EPA Substance Registry System
- 1 · 1,4-Benzenedicarbonyl dichloride, 2,3,5,6-tetrachloro- (719-32-4)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesProduced as an intermediate in the manufacture of the herbicide Dimethyl tetrachloroterephthalate (DCPA); [HSDB]
Methods of Manufacturing
2,3,5,6-Tetrachloroterephthaloyl chloride is formed as an intermediate in the manufacture of DCPA (dimethyl tetrachloroterephthalate) by chlorination of p-xylene, conversion of the reaction products to 2,3,5,6-tetrachloroterephthaloyl chloride, and reaction with methanol to yield the dimethyl ester.
General Manufacturing Information
1,4-Benzenedicarbonyl dichloride, 2,3,5,6-tetrachloro-: INACTIVE
DCPA (dimethyl tetrachloroterephthalate) is produced by: ISK Biosciences, PO Box 8000, 5966 Heisley Road, Mentor,OH 44061-8000; Agricultural and Specialty Chemicals, PO Box 9637, Greens Bayou,TX 77213. Production site: Greens Bayou, TX 77213
Suppliers16 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
Related reactions
1 records
Compound notes
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