3,5-Dichlorotoluene
Basic information
- CAS
25186-47-4- Standard SMILES
Cc1cc(Cl)cc(Cl)c1- InChIKey
RYMMNSVHOKXTNN-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2
- Average molar mass
- 161.03 g/mol
- Monoisotopic mass
- 159.9846556
Names & identifiers
- Preferred name
- 3,5-Dichlorotoluene
- IUPAC
- 1,3-dichloro-5-methylbenzene
- English name
- 3 5-Dichlorotoluene
- Molecular formula
- C7H6Cl2
- Molecular weight
- 161.03
Names & synonyms
3,5-DICHLOROTOLUENE25186-47-41,3-Dichloro-5-methylbenzeneEINECS 246-722-1DTXSID30179854RefChem:486782DTXCID90102345246-722-1Benzene, 1,3-dichloro-5-methyl-MFCD00035819Toluene, 3,5-dichloro-3,5-Dichlortoluol
Show more names
3,5-DICHLOROTOLUENE, 98+%
2UT66DS4S21,3-Dichloro-5-methylUNII-2UT66DS4S2SCHEMBL1707883 5-DICHLOROTOLUENECL8825MB00382SY020705
Database identifiers
- CAS
25186-47-4- PubChem CID
- 32834
- DTXSID
DTXSID30179854- UNII
- 2UT66DS4S2
- EC Number
- 246-722-1
- Nikkaji
- J88.331J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 82.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 26 °C · 26°C
- Boiling point
- 203 ℃ · 203℃
- Density
- 1.242 · 1.242
- refractive index
- 1.5442 · 1.5442 (estimate)
- Flash point
- 79 ℃ · 79℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 2 UT66DS4S2 · 2UT66DS4S2
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319-H335-H400-H410-H302-H315
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 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2903998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H319-H335-H400-H410-H302-H315
- Precautionary statements
- P273-P280-P312
Chemistry & industry
Applications
Uses3,5-Dichlorotoluene is a common chemical reactant used in the synthesis of various pharmaceuticals and biological agents. Used in the preparation of pyrazole amide derivatives as RORγ inhibitors as well as cross coupling reactions.
Related reactions
7 records
Compound notes
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