Benzonitrile, 2,6-dichloro-3-hydroxy-
Basic information
- CAS
3336-34-3- Standard SMILES
N#Cc1c(Cl)ccc(O)c1Cl- InChIKey
JAIIUXZFGCEYAH-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 186.9591691
Names & identifiers
- Preferred name
- Benzonitrile, 2,6-dichloro-3-hydroxy-
- IUPAC
- 2,6-dichloro-3-hydroxybenzonitrile
- English name
- 2,6-Dichloro-3-hydroxybenzonitrile
- Molecular formula
- C7H3Cl2NO
- Molecular weight
- 188.01
Names & synonyms
2,6-Dichloro-3-hydroxybenzonitrile3-HydroxydichlobenilBENZONITRILE, 2,6-DICHLORO-3-HYDROXY-BRN 2096249DTXSID00186974RefChem:327980DTXCID401094653336-34-3MFCD01662155SCHEMBL29091700SCHEMBL30583792JAIIUXZFGCEYAH-UHFFFAOYSA-N
Show more names
DAA336342,6-dichloro-3-hydroxy-benzonitrileBS-28474CS-0187966E76735EN300-7396367F626782
Database identifiers
- CAS
3336-34-3- PubChem CID
- 18748
- DTXSID
DTXSID00186974- Nikkaji
- J42.012C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 200 · 200-202 °C
- Boiling point
- 318.4 · 318.4±42.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 6.68 · 6.68±0.23(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
- HS Code
- 2926907090 · 2926907090
- Toxicity
- 50 · mouse,LD50,intraperitoneal,83mg/kg (83mg/kg),Mededelingen Rijksfaculteit Landbouwwetenschappen, Gent. Communications of the State University of Agricultural Sciences, Ghent. Vol. 31, Pg. 1026, 1966.
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
- hs_code
- 2926907090
- Toxicity
- mouse,LD50,intraperitoneal,83mg/kg (83mg/kg),Mededelingen Rijksfaculteit Landbouwwetenschappen, Gent. Communications of the State University of Agricultural Sciences, Ghent. Vol. 31, Pg. 1026, 1966.
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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