Basic information
- CAS
142472-15-9- Standard SMILES
COc1ccccc1C(=O)CC(=O)c1ccccc1OC- InChIKey
RICSYNKWOQQKFX-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Overview
See also: 1,3-Propanedione, 1,3-bis(methoxyphenyl)- (annotation moved to).
Names & identifiers
- Preferred name
- 1,3-Bis(2-methoxyphenyl)propane-1,3-dione
- IUPAC
- 1,3-bis(2-methoxyphenyl)propane-1,3-dione
- English name
- 1,3-bis(2-methoxyphenyl)propane-1,3-dione
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
1,3-bis(2-methoxyphenyl)propane-1,3-dioneDTXSID10576529RefChem:413958DTXCID20527300979-557-5142472-15-9MFCD0855317435860-47-01,3-Di-(2-methoxyphenyl)-1,3-propanedioneSCHEMBL21128714SCHEMBL29987209RICSYNKWOQQKFX-UHFFFAOYSA-N
Show more names
1,3-Propanedione, 1,3-bis(2-methoxyphenyl)-
SFA47215SBB022748STK349961AKOS000311388ST089040CS-0240786EN300-230084Z2106593749
Database identifiers
- CAS
142472-15-9、35860-47-0- PubChem CID
- 15664665
- DTXSID
DTXSID10576529- EC Number
- 979-557-5
- Nikkaji
- J461.396A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 455.2 · 455.2±30.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 9.74 · 9.74±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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