Basic information
- Standard SMILES
CC(=O)c1ccc(Cl)s1- InChIKey
HTZGPEHWQCRXGZ-UHFFFAOYSA-N- Molecular formula
- C6H5ClOS
- Average molar mass
- 160.62 g/mol
Names & identifiers
- Preferred name
- 2-Acetyl-5-chlorothiophene
- IUPAC
- 1-(5-chlorothiophen-2-yl)ethanone
- English name
- 5-Chloro-2-acetylthiophen
- Molecular formula
- C22H26N2O4
- Molecular weight
- 382.45
Names & synonyms
2-Acetyl-5-chlorothiophene6310-09-41-(5-Chloro-2-thienyl)ethanone5-Chloro-2-acetylthiophene5-Chloro-2-thienyl methyl ketone2-Chloro-5-acetylthiopheneKetone, 5-chloro-2-thienyl methylAI3-15902EINECS 228-630-3BRN 0113936DTXSID702124365-17-09-00391 (Beilstein Handbook Reference)
Show more names
Curan-16-carboxylic acid, 15,20-didehydro-17,19-epoxy-10-hydroxy-1-methyl-, methyl ester (9CI)
RefChem:84979DTXCID70134927HTZGPEHWQCRXGZ-UHFFFAOYSA-NInChI=1/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H1-(5-chlorothiophen-2-yl)ethanoneEthanone, 1-(5-chloro-2-thienyl)-5-Chlor-2-acetyl thiophen1-(5-chlorothiophen-2-yl)ethan-1-one
Database identifiers
- CAS
631-09-4- UNII
- HSG32J5KRT
- EC Number
- 228-630-3
- Nikkaji
- J96.779C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 46 · 46-49°
- Boiling point
- 117 · 117-118°/17mm
- RTECS
- 1745000 · OB1745000
- HazardClass
- LIGHT SENSITIVE
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (33.3%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 21-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22747
Hazard Classes and CategoriesAcute Tox. 2 (33.3%)
Safety data
- rtecs
- OB1745000
- hazard_class
- LIGHT SENSITIVE
Chemistry & industry
Suppliers7 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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