Basic information
- CAS
3215-65-4- Standard SMILES
N#CCc1c(Cl)ccc(Cl)c1Cl- InChIKey
ZUZLGSONCFESPE-UHFFFAOYSA-N- Molecular formula
- C8H4Cl3N
- Average molar mass
- 220.5 g/mol
- Monoisotopic mass
- 218.94093217
Names & identifiers
- Preferred name
- Benzeneacetonitrile, 2,3,6-trichloro-
- IUPAC
- 2-(2,3,6-trichlorophenyl)acetonitrile
- English name
- 2,3,6-Trichlorophenylacetonitrile
- Molecular formula
- C8H4Cl3N
- Molecular weight
- 220.48
Names & synonyms
2,3,6-Trichlorobenzyl cyanideBenzeneacetonitrile, 2,3,6-trichloro-Acetonitrile, (2,3,6-trichlorophenyl)-EINECS 221-731-3NSC 166425DTXSID2062907RefChem:562946DTXCID6038457Acetonitrile, (2,3,6-trichlorophenyl)-(8CI)2,3,6-Trichlorophenylacetonitrile3215-65-42-(2,3,6-trichlorophenyl)acetonitrile
Show more names
LABOTEST-BB LT008479372,3,6-trichloro-benzeneacetonitril2,3,6-Trichlorobenzeneacetonitrile2,3,6-TRICHLOROPHENYLACETONITRILE 97%
2-(2,3,6-trichlorophenyl)ethanenitrileNSC1664252,6-Trichlorobenzyl cyanideSCHEMBL7271261Acetonitrile,3,6-trichlorophenyl)-(2,3,6-Trichlorophenyl)acetonitrileMFCD00051457SBB058325
Database identifiers
- CAS
3215-65-4- PubChem CID
- 76679
- DTXSID
DTXSID2062907- EC Number
- 221-731-3
- Nikkaji
- J262.318H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 64 · 64-66°C
- EPA Substance Registry System
- 2 · Benzeneacetonitrile, 2,3,6-trichloro- (3215-65-4)
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36
- Safety Statements
- 22 · 22-36/37-26
- RIDADR
- 3276 · 3276
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- ridadr
- 3276
- risk_code
- 20/21/22-36
- hazard_code
- Xi
- safety_code
- 22-36/37-26
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetonitrile, 2,3,6-trichloro-: INACTIVE
Suppliers2 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
2 records
Compound notes
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