Structure
Identifiers
CAS:
79-01-6IUPAC name: 1,1,2-trichloroethene
Formula:
C2HCl3MW: 131.38 g/mol
Structural identifiers
SMILES: C(=C(Cl)Cl)Cl
InChIKey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
InChI: InChI=1S/C2HCl3/c3-1-2(4)5/h1H
Commercial
Inventory: to order
Get a quote from ChemExact
No verified supplier signed yet — this SKU is in our public inquiry pool. Submit an inquiry and our BD team will return 3+ comparative quotes within 48–72h.
Request a quote →Physical & chemical properties
Computed descriptors aggregated from PubChem for CAS 79-01-6.
| XLogP | 2.6 |
|---|---|
| Complexity | 42 |
| Exact mass | 129.914383 g/mol |
| Formal charge | 0 |
| Heavy atom count | 5 |
| Monoisotopic mass | 129.914383 g/mol |
| H-bond donor count | 0 |
| Rotatable bond count | 0 |
| H-bond acceptor count | 0 |
| Topological polar surface area (TPSA) | 0 Ų |
China regulatory compliance
Hazardous Chemical (China MEM Catalogue 2015)
Frequently asked questions
Curated by ChemExact's editorial team and reviewed by chemistry and API procurement specialists. Each factual claim is traceable to the cross-source citation graph at the bottom of the page.
What is 1,1,2-trichloroethene (CAS 79-01-6)?
1,1,2-trichloroethene is a chemical compound with molecular formula C2HCl3 and molecular weight ≈ 131.38 g/mol. Its CAS Registry Number is 79-01-6. Trichloroethylene can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity and male reproductive toxicity according to The Environmental Protection Agency (EPA).
What is the molecular formula and weight of 1,1,2-trichloroethene (CAS 79-01-6)?
The molecular formula of 1,1,2-trichloroethene is C2HCl3, and the molecular weight is 131.38 g/mol. This data has been cross-verified against PubChem, ChEMBL and CAS Common Chemistry.
What are the SMILES and InChIKey of 1,1,2-trichloroethene?
The canonical SMILES of 1,1,2-trichloroethene is `C(=C(Cl)Cl)Cl`, and the InChIKey is `XSTXAVWGXDQKEL-UHFFFAOYSA-N`. These international identifiers are reusable in PubChem, ChemDraw, RDKit and most cheminformatics toolchains.
What are the common synonyms of 1,1,2-trichloroethene?
Common synonyms of 1,1,2-trichloroethene include: TRICHLOROETHYLENE, Trichloroethene, 79-01-6, 1,1,2-Trichloroethene, Ethinyl trichloride, 1,1,2-Trichloroethylene, Ethene, trichloro-, Ethylene trichloride — 20 synonyms in total. The full list (sourced from PubChem) is available in the page header under "Show synonyms".
What is the current market price of 1,1,2-trichloroethene (CAS 79-01-6)?
ChemExact follows a claimed-supplier real-time pricing model: when a verified supplier claims this product page, the right sidebar shows their public quote, MOQ and validity. Current page status: UNCLAIMED — suppliers welcome to onboard and quote. For market reference, see weekly bulletins from ICIS (icis.com), S&P Global Commodity Insights, or China-side aggregators (Longzhong, Sublime, BAIINFO).
How has 1,1,2-trichloroethene price trended recently?
1,1,2-trichloroethene pricing typically tracks upstream feedstocks (oil, propylene/aromatics), export demand and seasonal turnaround schedules. Authoritative trackers include: ① ICIS weekly reports; ② S&P Global Platts; ③ China General Administration of Customs (GACC) export data; ④ China Petroleum & Chemical Industry Federation (CPCIF) monthly bulletins. ChemExact will aggregate public weekly bulletins as a market-reference layer (no quote-binding) in subsequent sprints.
Who are the major manufacturers of 1,1,2-trichloroethene in China?
Authoritative public sources for finding licensed Chinese manufacturers of 1,1,2-trichloroethene: ① China MEM Hazardous Chemicals Registration System — https://whpdj.mem.gov.cn/ (searchable registered enterprises); ② China Chemical Information Center (CCIN) industry database — http://www.ccin.com.cn/; ③ Public B2B platforms such as Made-in-China.com and Alibaba 1688 (with verified-supplier filters). Note: 1,1,2-trichloroethene is on China's Hazardous Chemicals Catalogue, so all production/trading entities must hold the corresponding operating licenses. ChemExact will aggregate the public regulatory lists into a 'potential suppliers' candidate pool (with full provenance) in the next sprint.
Who are the largest global producers of 1,1,2-trichloroethene?
Global supply discovery for 1,1,2-trichloroethene is best started from public regulatory registries: ① ECHA REACH registered companies — https://echa.europa.eu/information-on-chemicals (by CAS 79-01-6 returns all EU-compliant registrants); ② US EPA CompTox Chemicals Dashboard — https://comptox.epa.gov/dashboard/; ③ Japan NITE Chemical Risk Information Platform (CHRIP). These registries list compliant producers/importers and serve as a credible first-pass shortlist for international procurement.
What grades of 1,1,2-trichloroethene are commercially available?
1,1,2-trichloroethene is typically supplied in the following grades: Industrial / Technical (≥ 99%, bulk feedstock), Reagent (AR/CP/GR, ≥ 99.5%, lab analytics), HPLC / GC (≥ 99.9%, chromatography & spectroscopy), and where applicable a pharmaceutical grade meeting USP/EP/JP. Grade-specific specs are confirmed via the supplier's SDS and CoA. ChemExact lets verified suppliers attach hash-validated CoA/SDS files to their claimed product pages.
Where can I download the SDS / MSDS for 1,1,2-trichloroethene (CAS 79-01-6)?
Authoritative SDS sources: ① PubChem 'Safety and Hazards' section — https://pubchem.ncbi.nlm.nih.gov/compound/6575; ② US NIH Hazardous Substances Data Bank (HSDB); ③ ECHA REACH dossier; ④ Supplier-attached SDS on the claimed product page. ChemExact does not host SDS files directly (to avoid version drift); all SDS links route to source.
What should be included in a Certificate of Analysis (CoA) for 1,1,2-trichloroethene?
A typical industrial CoA for an organic chemical includes: assay (GC%), appearance, density, refractive index, water content (Karl Fischer), acidity, distillation range or boiling point, heavy metals, and iron content. Reagent / pharma grades additionally provide IR / NMR / HPLC traces. ChemExact requires verified suppliers to upload a CoA template upon claiming, so buyers can perform back-validation.
What licenses are required to procure or transport 1,1,2-trichloroethene?
Because 1,1,2-trichloroethene is listed under 应急管理部危险化学品目录; 生态环境部优先控制化学品名录, the following licenses apply under China's *Regulations on the Safe Management of Hazardous Chemicals*: ① distributors must hold a Hazardous Chemicals Business License; ② end-users handling highly toxic / explosive precursors require a Use License; ③ road transport must be performed by carriers holding Hazardous Goods Road Transport qualifications, using purpose-built vehicles and certified attendants; ④ cross-border shipment must additionally comply with IMDG (sea), IATA (air), or ADR (road) rules. Refer to the latest MEM rulings.
Related research papers
Open-access publications referencing 1,1,2-trichloroethene (CAS 79-01-6), sourced from OpenAlex.
Modelling and Interpretation of Adsorption Isotherms
Critical compilation of scales of solvent parameters. Part I. Pure, non-hydrogen bond donor solvents
Evidence for an Additional Oxidant in the Photoassisted Fenton Reaction
Enantioselective Organocatalytic Alkylation of Aldehydes and Enals Driven by the Direct Photoexcitation of Enamines
Spatial and seasonal variation and source apportionment of volatile organic compounds (VOCs) in a heavily industrialized region
Metabolism of trichloroethylene.
Authoritative external references
Every chemistry property, compliance flag and literature claim on this page is traceable to the authoritative external sources below. Click any link to verify on the publishing institution's original page.
- NIST WebBook · Trichloroethylene ↗ — NIST · Standard Reference Data Program
- ChEMBL · CHEMBL279816 ↗ — EMBL-EBI · ChEMBL
- OpenAlex papers ↗ — OurResearch · OpenAlex
- China compliance (IECSC) ↗ — MEE · China IECSC
- PubChem PUG-View · CID 6575 ↗ — National Library of Medicine · PubChem
- PubChem · CID 6575 ↗ — National Library of Medicine · PubChem
Content & data statement.
Commercial information on this page (CAS, HS, EC, purity grade, indicative price band, lead time, inventory status,
REACH and FDA flags) is captured from supplier-controlled documents by the ChemExact editorial desk and reviewed
on a recurring cycle. Chemistry data — structures, synonyms, physico-chemical properties, hazard classifications and
the cited literature — is reconciled against internationally recognised authorities (including but not limited to
PubChem, CAS Common Chemistry, ECHA, China MEM, ChEMBL and OpenAlex) and cross-checked by our editors.
Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.
Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.
Ready to request a quote?
1,1,2-trichloroethene (CAS 79-01-6) — 24h BD response, 48–72h comparative quotes from verified suppliers worldwide.
Get a quote →