m-Toluic anhydride
Basic information
- CAS
21436-44-2- Standard SMILES
Cc1cccc(C(=O)OC(=O)c2cccc(C)c2)c1- InChIKey
DGZSQLHPEZFGSI-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- m-Toluic anhydride
- IUPAC
- (3-methylbenzoyl) 3-methylbenzoate
- English name
- M-TOLUIC ANHYDRIDE
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
21436-44-2m-Toluic anhydride(3-methylbenzoyl) 3-methylbenzoateDTXSID70291509RefChem:800397DTXCID30242653800-046-93-Methylbenzoic anhydride3-methylbenzoyl 3-methylbenzoateMFCD000480833-methylbenzene-1-carboxylic anhydrideBenzoic acid, 3-methyl-, anhydride
Show more names
3-Methylbenzoicanhydride,97%Benzoic acid, 3-methyl-, 1,1'-anhydride
3-Methylbenzene-1-carboxylicanhydrideNSC76062SCHEMBL4188727SCHEMBL31316346NSC-76062AKOS015842028AS-58627DB-006496
Database identifiers
- CAS
21436-44-2- PubChem CID
- 253301
- DTXSID
DTXSID70291509- EC Number
- 800-046-9
- Nikkaji
- J1.410.470D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 66 · 66-70℃
- Boiling point
- 357.5 °C · 357.5°C (rough estimate)
- Density
- 1.1565 · 1.1565 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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