Basic information
- CAS
2904-62-3- Standard SMILES
[O-][N+]#Cc1c(Cl)cccc1Cl- InChIKey
XACGZMBUDCYGPB-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 186.95916908
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzonitrile oxide
- IUPAC
- 2,6-dichlorobenzonitrile oxide
- English name
- 2,6-dichlorobenzonitrile N-oxide
- Molecular formula
- C7H3Cl2NO
- Molecular weight
- 188.01082
Names & synonyms
2,6-dichlorobenzonitrile oxideRefChem:9088792904-62-32,6-Dichlorobenzonitrile N-oxide(2,6-DICHLOROPHENYL)FORMONITRILE OXIDEBenzonitrile, 2,6-dichloro-, N-oxide2,6-dichloro-benzonitrile oxideEINECS 220-805-2SCHEMBL39017512,6-dichlorobenzonitrile-N-oxideDTXSID30183279XACGZMBUDCYGPB-UHFFFAOYSA-N
Show more names
2,6-Dichlorobenzonitrileoxide
AKOS040694765NS00048210G31217EN300-7354198F2163-0264
Database identifiers
- CAS
2904-62-3- PubChem CID
- 76185
- DTXSID
DTXSID30183279- EC Number
- 220-805-2
- Nikkaji
- J306.830G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
1 records
Compound notes
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