Basic information
- CAS
20856-57-9- Standard SMILES
O=CNC(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl- InChIKey
REEFSLKDEDEWAO-UHFFFAOYSA-N- Molecular formula
- C9H7Cl5N2O
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 333.900101
Overview
Chloraniformethan is a dichlorobenzene and an amide fungicide.
Names & identifiers
- Preferred name
- Chloraniformethan
- IUPAC
- N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide
- English name
- CHLORANIFORMETHAN
- Molecular formula
- C9H7Cl5N2O
- Molecular weight
- 336.43
Names & synonyms
ChloraniformethanChloraniformethaneMilfaron20856-57-9IMUGAN30GSK201LJDTXSID1041764N-(2,2,2-Trichloro-1-(3,4-dichloroanilino)ethyl) formamideFormamide, N-(2,2,2-trichloro-1-((3,4-dichlorophenyl)amino)ethyl)-Formamide, N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)amino]ethyl]-BAY-79770RefChem:125279
Show more names
B-79770bay79770n-(1-(3,4-dichloroanilino)-2,2,2-trichloroethyl)-formamid
DTXCID9021764244-084-9BAY 79770Chloraniformethan [ISO]N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide1-(3,4-Dichloranilino)-1-formylamino-2,2,2-trichloraethanN-(2,2,2-Trichloro-1-(3,4-dichloroanilino)ethyl)formamideFormamide, N-(1-(3,4-dichloroanilino)-2,2,2-trichloroethyl)-
Database identifiers
- CAS
20856-57-9- PubChem CID
- 30331
- DTXSID
DTXSID1041764- ChEBI
CHEBI:82053
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 524.3 · 524.3±50.0 °C(Predicted)
- Density
- 1.5676 · 1.5676 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- pka
- 13.48 · 13.48±0.23(Predicted)
- Henry's Law Constant
- 2.3 · 2.3×1010 mol/(m3Pa) at 25℃, MacBean (2012)
- FDA UNII
- 30 GSK201LJ · 30GSK201LJ
- EPA Substance Registry System
- Chloraniformethane (20856-57-9)
Chemistry & industry
Applications
DescriptionChloraniformethan is an obsolete herbicide. It is moderately soluble in water and volatile. Limited environmental fate data is available in the public domain. It has a low mammalian toxicity. It is moderately toxic to fish. There are gaps in ecotoxicological data.
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Chloraniformethan is a dichlorobenzene and an amide fungicide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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