Basic information
- CAS
2571-39-3- Standard SMILES
Cc1ccc(C(=O)c2ccccc2)cc1C- InChIKey
JENOLWCGNVWTJN-UHFFFAOYSA-N- Molecular formula
- C15H14O
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.10446507
Names & identifiers
- Preferred name
- 3,4-Dimethylbenzophenone
- IUPAC
- (3,4-dimethylphenyl)-phenylmethanone
- English name
- 3,4-Dimethylbenzophenone
- Molecular formula
- C15H14O
- Molecular weight
- 210.27
Names & synonyms
3,4-Dimethylbenzophenone2571-39-3Methanone, (3,4-dimethylphenyl)phenyl-EINECS 219-916-9NSC 10172DTXSID90180401RefChem:486356DTXCID60102892219-916-9(3,4-Dimethylphenyl)(phenyl)methanone(3,4-dimethylphenyl)-phenylmethanoneMFCD00008525
Show more names
3,4-Dimethylb3,4-DimethylbenzophePhenyl 3,4-xylyl ketone3,4'-DIMETHYLBENZOPHENONE3,4-Dimethylbenzophenone>(3,4-Dimethylphenyl)phenyl ketone(3,4-Dimethylphenyl)phenyl-methanone7-fluoro-2-phenyl-1-benzopyran-4-one
Benzophenone, 3,4-dimethyl-JENOLWCGNVWTJN-UHFFFAOYSA-3,4-Dimethylbenzophenone, 99%NSC-10172AKOS001046622DS-4965CS-01530083,4-dimethylphenyl phenyl ketone
Database identifiers
- CAS
2571-39-3- PubChem CID
- 75730
- DTXSID
DTXSID90180401- UNII
- 2BST6W3JN9
- EC Number
- 219-916-9
- Nikkaji
- J192.076F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 45 · 45-47 °C (lit.)
- Boiling point
- 335 °C · 335°C
- Density
- 1.0232 · 1.0232 (rough estimate)
- refractive index
- 1.5361 · 1.5361 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light yellow
- BRN
- 1952043 · 1952043
- InChI
- InChI=1S/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
- InChIKey
- JENOLWCGNVWTJN-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C)C(C)=C1)(C1=CC=CC=C1)=O
- CAS DataBase Reference
- 2571 · 2571-39-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3,4-Dimethylbenzophenone(2571-39-3)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Methanone, (3,4-dimethylphenyl)phenyl-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29143990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25-22-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Description3,4-Dimethylbenzophenone is an important chemical material for organic synthesis or laboratory research.
Upstream & downstream products
Upstream raw materials
Suppliers101 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
3 records
Compound notes
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