Basic information
- CAS
6974-10-3- Standard SMILES
CCOC(=O)CN1C(=O)c2ccccc2C1=O- InChIKey
NYNCZOLNVTXTTP-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- Ethyl phthalimidoacetate
- IUPAC
- ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
- English name
- 2-Ethoxycarbonyl-methyl-phthalimide
- Molecular formula
- C12H11NO4
- Molecular weight
- 233.22
Names & synonyms
6974-10-3Ethyl phthalimidoacetateDCV2ZHH9RJNSC-23179NSC-255094RefChem:1085091Ethyl 2-(1,3-dioxoisoindolin-2-yl)acetateethyl 2-(1,3-dioxoisoindol-2-yl)acetate2-ETHOXYCARBONYL-METHYL-PHTHALIMIDEEthyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetateMFCD000230832H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester
Show more names
(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl esterNsc23179SPECS AF-960/00453010N-PHTHALOYLGLYCINE ETHYL ESTER
Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetateethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetatephthalimidoacetic acid ethyl esterethyl 2-(1,3-dioxobenzo[c]azolidin-2-yl)acetatePhthalylglycine ethyl ester2H-Isoindole-2-acetic acid,3-dihydro-1,3-dioxo-, ethyl esterN-(Ethoxycarbonylmethyl)phthalimideMLS000062962
Database identifiers
- CAS
6974-10-3- PubChem CID
- 95202
- DTXSID
DTXSID40989906- ChEMBL
CHEMBL1871113- UNII
- DCV2ZHH9RJ
- Nikkaji
- J955.050J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 112.5 °C · 112.5°C
- Boiling point
- 375.46 °C · 375.46°C (rough estimate)
- Density
- 1.2697 · 1.2697 (rough estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- -2.47 · -2.47±0.20(Predicted)
- FDA UNII
- 2 ZHH9RJ · DCV2ZHH9RJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers32 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
Related reactions
1 records
Compound notes
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