Basic information
- CAS
16995-35-0- Standard SMILES
O=C(CCl)C(Cl)(Cl)Cl- InChIKey
MSZQBKOLHPDFFD-UHFFFAOYSA-N- Molecular formula
- C3H2Cl4O
- Average molar mass
- 195.9 g/mol
- Monoisotopic mass
- 193.8859754
Names & identifiers
- Preferred name
- 2-Propanone, 1,1,1,3-tetrachloro-
- IUPAC
- 1,1,1,3-tetrachloropropan-2-one
- English name
- Tetrachloroacetone
- Molecular formula
- C3H2Cl4O
- Molecular weight
- 195.86
Names & synonyms
1,1,1,3-TETRACHLOROACETONE16995-35-01,1,1,3-Tetrachloro-2-propanone2-Propanone, 1,1,1,3-tetrachloro-BRN 1756047EINECS 241-075-1RefChem:478540241-075-11,1,1,3-tetrachloropropan-2-one1,1,1,3-Tetrachloropropanone2-Propanone, tetrachloro-Tetrachloraceton
Show more names
Folate 16TetrachloroacetoneFolic Acid Impurity 621，1，l，3-Tetrachloro-2-propanone
orb1691524SCHEMBL1457226DTXSID60216621,1,1,3-tetrachloro-propan-2-oneAKOS04075699131422-61-4DB-328693HY-133629
Database identifiers
- CAS
16995-35-0、31422-61-4- PubChem CID
- 28188
- DTXSID
DTXSID6021662- EC Number
- 241-075-1
- Nikkaji
- J318.321A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 93.9
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 65 °C · 65°C
- Boiling point
- 280.97 °C · 280.97°C (rough estimate)
- Density
- 1.624 · 1.6240
- refractive index
- 1.497 · 1.4970 (estimate)
- CAS DataBase Reference
- 16995 · 16995-35-0
- FDA UNII
- 7 R42FF17P · J7R42FF17P
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H310
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Propanone, 1,1,1,3-tetrachloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H310
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Applications
Uses1,1,1,3-Tetrachloroacetone is a halogenated ozone-chlorine and ozone chloramine disinfection byproducts (DBPs) at elevated bromide levels when chlorine or chloramine is used as a secondary disinfectant[1].
Upstream & downstream products
Upstream raw materials
Suppliers16 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司18126517264 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
Related reactions
2 records
Compound notes
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