2,4-Dichloro-5-methylthiophenol
Basic information
- CAS
28225-88-9- Standard SMILES
Cc1cc(S)c(Cl)cc1Cl- InChIKey
SHBIPXMJAAVLGL-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2S
- Average molar mass
- 193.09 g/mol
- Monoisotopic mass
- 191.9567268
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-methylthiophenol
- IUPAC
- 2,4-dichloro-5-methylbenzenethiol
- English name
- 2,4-dichloro-5-methylthiophenol
- Molecular formula
- C7H6Cl2S
- Molecular weight
- 193.09
Names & synonyms
2,4-Dichloro-5-methylthiophenol28225-88-92,4-DICHLORO-5-METHYLBENZENE-1-THIOLBenzenethiol, 2,4-dichloro-5-methyl-EINECS 248-914-059T4PWA7ERDTXSID90182480RefChem:443313DTXCID00104971248-914-02,4-dichloro-5-methylbenzenethiolMFCD00043991
Show more names
UNII-59T4PWA7ERSCHEMBL10710955SHBIPXMJAAVLGL-UHFFFAOYSA-N2,4-dichloro-5-methyl-benzenethiolAKOS006273778AS-81277SY292913DB-302350
Database identifiers
- CAS
28225-88-9- PubChem CID
- 119901
- DTXSID
DTXSID90182480- UNII
- 59T4PWA7ER
- EC Number
- 248-914-0
- Nikkaji
- J250.682C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 271 · 271.0±35.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 5.5 · 5.50±0.50(Predicted)
- FDA UNII
- 59 T4PWA7ER · 59T4PWA7ER
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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