Basic information
- CAS
6012-97-1- Standard SMILES
Clc1sc(Cl)c(Cl)c1Cl- InChIKey
WZXXZHONLFRKGG-UHFFFAOYSA-N- Molecular formula
- C4Cl4S
- Average molar mass
- 221.9 g/mol
- Monoisotopic mass
- 219.847482
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachlorothiophene
- IUPAC
- 2,3,4,5-tetrachlorothiophene
- English name
- Tetrachlorothiophene
- Molecular formula
- C4Cl4S
- Molecular weight
- 221.92
Names & synonyms
TetrachlorothiophenePerchlorothiophene6012-97-12,3,4,5-TETRACHLOROTHIOPHENEThiophene, tetrachloro-IF (Fumigant)ENT 25,764DTXSID5042451NSC-61442X82R7655J4NSC-44615DTXCID3022451
Show more names
cp30487Penpheneent25,764if(fumigant)
CP-30487RefChem:1059186227-866-4PemphenePenn salt td-183TetrachlorothiofeneTetrachlorthiofenTD-183
Database identifiers
- CAS
6012-97-1- PubChem CID
- 22344
- DTXSID
DTXSID5042451- ChEMBL
CHEMBL443394- UNII
- X82R7655J4
- EC Number
- 227-866-4
- Nikkaji
- J54.401I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.7
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 28 · 28-30 °C (lit.)
- Boiling point
- 75 °C/2 · 75 °C/2 mmHg (lit.)
- Density
- 1.704 g/mL · 1.704 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.591(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Soluble), Methanol (Slightly)
- form
- solid
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C4Cl4S/c5-1-2(6)4(8)9-3(1)7
- InChIKey
- WZXXZHONLFRKGG-UHFFFAOYSA-N
- SMILES
- C1(Cl)SC(Cl)=C(Cl)C=1Cl
- CAS DataBase Reference
- 6012 · 6012-97-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 82 R7655J4 · X82R7655J4
- NIST Chemistry Reference
- Thiophene, tetrachloro-(6012-97-1)
- EPA Substance Registry System
- Tetrachlorothiophene (6012-97-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P311
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 26 · 26-28-36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 350000 · XN0350000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
- Toxicity
- 50 oral · LD50 oral in rat: 70mg/kg
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- XN0350000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2934999090
- Toxicity
- LD50 oral in rat: 70mg/kg
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301+H311+H331
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
- Precautionary statements
- P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P311
Chemistry & industry
Applications
UsesTetrachlorothiophene was used in the preparation of 3,4,5-trichloro-2-thiophenecarbonyl chloride.
UsesTetrachlorothiophene is a solvent for organic reactions and spectral use.
Upstream & downstream products
Downstream products
Suppliers50 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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艾科试剂4008-755-333 18080918076 · [email protected]
越林试剂021-62960152 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Aladdin Scientific[email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
7 records
Compound notes
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