Basic information
- CAS
116412-83-0- Standard SMILES
COc1ccc(C(=O)c2ccc(Cl)cc2)cc1OC- InChIKey
MLLIIHAKTPXMFF-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.05532196
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(3,4-dimethoxyphenyl)methanone
- IUPAC
- (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
- English name
- 4-Chloro-3,4'-DimethoxyBenzophenone
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
116412-83-0(4-Chlorophenyl)(3,4-dimethoxyphenyl)methanone4-Chloro-3',4'-dimethoxybenzophenoneDTXSID60355386EC 404-610-1RefChem:402668DTXCID30306446404-610-1(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanoneMFCD021273074'-Chloro-3,4-dimethoxybenzophenoneMethanone, (4-chlorophenyl)(3,4-dimethoxyphenyl)-
Show more names
4-Chloro-3,4'-DimethoxyBenzophenone4’-chloro-3,4-dimethoxydibenzenemethylone4-CHLORO-(3,4-DIMETHOXY)-BENZOPHENONE 98+%(4-chloro-3-methoxyphenyl)-(4-methoxyphenyl)methanone(4-chlorophenyl)(3,4-dimethoxyphenyl)methanone - [AC77618]
Methanone,(4-chlorophenyl)(3,4-dimethoxyphenyl)-4-chloro-3',4'-dimethoxy benzophenoneCambridge id 6869048Oprea1_261096SCHEMBL6839373CHEMBL1169997SCHEMBL29772213AKOS004909488
Database identifiers
- CAS
116412-83-0- PubChem CID
- 798751
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 111 · 111-112 °C(Solv: ethanol (64-17-5))
- Boiling point
- 414.5 · 414.5±45.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform; Dichloromethane; DMSO; Ethyl Acetate; Methanol
- form
- Solid
- color
- Pale Green
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- Hazard Codes
- N
- Risk Statements
- 50 · 50/53
- Safety Statements
- 60 · 60-61
- REACH Registrations
- Inactive
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
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8433
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
Safety data
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- Hazard statements
- H410
- REACH Registrations
- Inactive
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
Uses4-Chloro-3'',4''-dimethoxybenzophenone is an intermedioate in the synthesis of Dimethomorph-d8 (D460532), a labelled agricultural fungicide.
Suppliers55 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma
上海景颜化工科技有限公司13817811078 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Related reactions
3 records
Compound notes
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