Basic information
- CAS
80269-97-2- Standard SMILES
COc1ccc(C(=O)CCCCl)c(OC)c1- InChIKey
XWCCYSWTIUDHGA-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- 4-Chloro-2',4'-dimethoxybutyrophenone
- IUPAC
- 4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one
- English name
- 4-CHLORO-1-(2,4-DIMETHOXYPHENYL)BUTAN-1-ONE
- Molecular formula
- C12H15ClO3
- Molecular weight
- 242.7
Names & synonyms
4-Chloro-2',4'-dimethoxybutyrophenoneEINECS 279-432-9DTXSID00230204NSC 163129RefChem:520820DTXCID60152695279-432-94-chloro-1-(2,4-dimethoxyphenyl)butan-1-one80269-97-24-Chloro-1-(2,4-dimethoxyphenyl)-1-butanoneMFCD00018991NSC-163129
Show more names
1-Butanone, 4-chloro-1-(2,4-dimethoxyphenyl)-4-CHLORO-2'',4''-DIMETHOXYBUTYROPHENONE, TECH.4-Chloro-1-(2,4-dimethoxyphenyl)butan-1-one , tech
NSC1631291-Butanone,4-chloro-1-(2,4-dimethoxyphenyl)-9KCD774M9VSCHEMBL6297419XWCCYSWTIUDHGA-UHFFFAOYSA-NSBB099634AKOS0091581823-Chloropropyl 2,4-dimethoxyphenyl ketone
Database identifiers
- CAS
80269-97-2- PubChem CID
- 98739
- DTXSID
DTXSID00230204- UNII
- 9KCD774M9V
- EC Number
- 279-432-9
- Nikkaji
- J320.249F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 58 °C · 58 °C
- Boiling point
- 381.6 · 381.6±32.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 80269 · 80269-97-2
- FDA UNII
- 9 KCD774M9V · 9KCD774M9V
- Symbol(GHS)
- 9 · GHS09,GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319-H400-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09,GHS07
- Hazard statements
- H317-H319-H400-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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