2,4-Dichloro-6-methylbenzonitrile
Basic information
- CAS
175277-98-2- Standard SMILES
Cc1cc(Cl)cc(Cl)c1C#N- InChIKey
NFPYAMXNKNDVDS-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2N
- Average molar mass
- 186.03 g/mol
- Monoisotopic mass
- 184.9799046
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-methylbenzonitrile
- IUPAC
- 2,4-dichloro-6-methylbenzonitrile
- English name
- 2,4-Dichloro-6-methylbenzonitrile
- Molecular formula
- C8H5Cl2N
- Molecular weight
- 186.04
Names & synonyms
2,4-dichloro-6-methylbenzonitrile175277-98-2DTXSID50384201RefChem:246297DTXCID20335225Benzonitrile, 2,4-dichloro-6-methyl-MFCD0005286524-Dichloro-6-methylbenzonitrile2,4-dichloro-6-methyl-benzonitrileSCHEMBL967389SCHEMBL28031894NFPYAMXNKNDVDS-UHFFFAOYSA-N
Show more names
4,6-Dichloro-o-tolunitrileBenzonitrile,2,4-dichloro-6-methyl-2,4-Dichloro-6-methylbenzonitrile-97%
AKOS0159087044,6-dichloro-2-methylbenzenecarbonitrileDA-09232SY109469TS-00231CS-0038544ST50408250F237597
Database identifiers
- CAS
175277-98-2- PubChem CID
- 2800965
- DTXSID
DTXSID50384201- EC Number
- 678-691-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 79 · 79-81°C
- Boiling point
- 287 · 287.0±35.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- BRN
- 3249214 · 3249214
- InChI
- InChI=1S/C8H5Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
- InChIKey
- NFPYAMXNKNDVDS-UHFFFAOYSA-N
- SMILES
- C(#N)C1=C(C)C=C(Cl)C=C1Cl
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- ridadr
- 3439
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Related reactions
5 records
Compound notes
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