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Basic information
- CAS
59777-72-9- Standard SMILES
CCOC(=O)c1ccccc1S(N)(=O)=O- InChIKey
CYFKZTWSLPKROH-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087883
Overview
structure in first source
Names & identifiers
- Preferred name
- Ethyl 2-(Aminosulfonyl)benzoate
- IUPAC
- ethyl 2-sulfamoylbenzoate
Names & synonyms
59777-72-9Benzoic acid, 2-(aminosulfonyl)-, ethyl esterEthyl 2-(Aminosulfonyl)benzoateDTXSID80886369RefChem:565443DTXCID201025700611-882-7ethyl 2-sulfamoylbenzoate2-Carboethoxybenzene sulfonamide2-Sulfamoylbenzoic Acid Ethyl EsterMFCD00455715Ethyl2-sulfamoylbenzoate
Show more names
2-EthoxycarbonylbenzenesulfonamideChemDiv2_000017Oprea1_497868CHEMBL149139SCHEMBL7363093SCHEMBL307487122-sulfamylbenzoic acid ethylesterHMS1369A17
Database identifiers
- CAS
59777-72-9- PubChem CID
- 4652880
- DTXSID
DTXSID80886369- ChEMBL
CHEMBL149139- EC Number
- 611-882-7
- Nikkaji
- J789.793F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(aminosulfonyl)-, ethyl ester: ACTIVE
Suppliers77 total
上海利卡斯实业有限公司19821976800 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
614 records
Compound notes
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