Basic information
- CAS
58915-19-8- Standard SMILES
CCOC(=O)c1cccc(NC(=O)CCl)c1- InChIKey
GWRKWJKNWBWCPD-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- Ethyl 3-[(chloroacetyl)amino]benzoate
- IUPAC
- ethyl 3-[(2-chloroacetyl)amino]benzoate
- English name
- ASISCHEM A63068
- Molecular formula
- C11H12ClNO3
- Molecular weight
- 241.67
Names & synonyms
58915-19-8ethyl 3-[(chloroacetyl)amino]benzoateethyl 3-(2-chloroacetamido)benzoateethyl 3-[(2-chloroacetyl)amino]benzoate3-(2-Chloro-acetylamino)-benzoic acid ethyl esterMFCD00711338Ethyl3-[(chloroacetyl)amino]benzoateBenzoic acid, 3-[(chloroacetyl)amino]-, ethyl ester6242AE3-Chloroacetamido-benzoic acid ethyl esterSCHEMBL6408672CHEMBL1970716
Show more names
ASISCHEM A63068CHEMBRDG-BB 5554900OTAVA-BB 0103940025OTAVA-BB BB0103940025ethyl 3-(2-chloroethanoylamino)benzoateBenzoic acid,3-(chloroacetylamino)-, ethyl ester
DTXSID701277742ethyl3-(2-chloroacetamido)benzoateALBB-023886NSC708443STK734586AKOS000295663ethyl 3-(2-chloroacetylamino)benzoateNSC-708443
Database identifiers
- CAS
58915-19-8- PubChem CID
- 398528
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 417.8 · 417.8±30.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.70(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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