Basic information
- CAS
6626-84-2- Standard SMILES
COC(=O)C(=Cc1ccccc1)C(=O)OC- InChIKey
HPLVTKYRGZZXJF-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Dimethyl benzylidenemalonate
- IUPAC
- dimethyl 2-benzylidenepropanedioate
- English name
- Dimethyl benzylidenemalonate
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
Dimethyl benzylidenemalonate6626-84-2Malonic acid, benzylidene-, dimethyl esterPropanedioic acid, (phenylmethylene)-, dimethyl esterDTXSID40288966RefChem:134225DTXCID10240112653-745-4HPLVTKYRGZZXJF-UHFFFAOYSA-Ndimethyl 2-benzylidenemalonatedimethyl 2-benzylidenepropanedioateMFCD00087288
Show more names
dimethylbenzylidenepropanedioateDimethyl Benzylidenemalonate(WXC04355)Benzylidenemalonic acid dimethyl ester2-Benzylidenemalonic acid dimethyl ester2-(Benzylidene)malonic acid dimethyl esterPropanedioic acid, 2-(phenylmethylene)-, 1,3-dimethyl ester
Dimethyl-2-benzylidenemalonate1,3-dimethyl 2-(phenylmethylidene)propanedioateCHEMBL2148166dimethyl benzylidene malonatedimethyl2-benzylidenemalonateSCHEMBL77732dimethyl benzylidenepropanedioateSCHEMBL5871662
Database identifiers
- CAS
6626-84-2- PubChem CID
- 245906
- DTXSID
DTXSID40288966- ChEMBL
CHEMBL2148166- EC Number
- 653-745-4
- Nikkaji
- J102.745J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 27 · 27-28 °C
- Boiling point
- 143 · 143-146 °C(Press: 2 Torr)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers16 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
郑州睿科生化科技有限公司18521304688;17324816296 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
Related reactions
3 records
Compound notes
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