2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
Basic information
- CAS
31772-43-7- Standard SMILES
Cc1cc(C(=O)CCl)c(C)s1- InChIKey
JHVAHFKUIQIYAI-UHFFFAOYSA-N- Molecular formula
- C8H9ClOS
- Average molar mass
- 188.67 g/mol
- Monoisotopic mass
- 188.0062638
Names & identifiers
- Preferred name
- 2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
- IUPAC
- 2-chloro-1-(2,5-dimethylthiophen-3-yl)ethanone
- English name
- 2-CHLORO-1-(2,5-DIMETHYLTHIEN-3-YL)ETHANONE
- Molecular formula
- C8H9ClOS
- Molecular weight
- 188.67
Names & synonyms
31772-43-72-chloro-1-(2,5-dimethyl-3-thienyl)ethanone2-chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-oneDTXSID80350414RefChem:468317DTXCID40301482841-376-32-chloro-1-(2,5-dimethylthiophen-3-yl)ethanone2-chloro-1-(2,5-dimethylthien-3-yl)ethanoneMFCD002242001-(2,5-dimethyl(3-thienyl))-2-chloroethan-1-oneBDBM7862
Show more names
2,5-dimethyl-3-chloroacetylthiopheneEthanone,2-chloro-1-(2,5-diMethyl-3-thienyl)-
CHEMBL344719SCHEMBL6788403AKOS000321623Chloromethyl Thienyl Ketone deriv. 10EBC-612897ST020051SY083504CS-0233345
Database identifiers
- CAS
31772-43-7- PubChem CID
- 678545
- DTXSID
DTXSID80350414- ChEMBL
CHEMBL344719- EC Number
- 841-376-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H318-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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