Basic information
- CAS
15854-11-2- Standard SMILES
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1N- InChIKey
ZUOUKGJUHCKVDK-UHFFFAOYSA-N- Molecular formula
- C14H15NO3S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.07726451
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
- IUPAC
- ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
- English name
- Ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate
- Molecular formula
- C14H15NO3S
- Molecular weight
- 277.34
Names & synonyms
ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate15854-11-2DTXSID30352483RefChem:342613DTXCID00303548681-462-6MFCD01917484ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate2-amino-4-(4-methoxyphenyl)-thiophene-3-carboxylic acid ethyl ester3-Thiophenecarboxylic acid, 2-amino-4-(4-methoxyphenyl)-, ethyl esterF0745-03252-Amino-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester
Show more names
AKOS B000797AURORA 20216AKOS MSC-0439AKOS BBS-00000791BUTTPARK 99\18-78CHEMBRDG-BB 3000797ART-CHEM-BB B000797TIMTEC-BB SBB005980MFCD01917484,MFCD-01917484
ZUOUKGJUHCKVDK-UHFFFAOYSA-NOprea1_562929SCHEMBL689196orb1218723orb1298535CHEMBL2393446SMSSF-0060279ALBB-001707
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 424.2 · 424.2±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- -0.18 · -0.18±0.10(Predicted)
- form
- solid
- CAS DataBase Reference
- 15854 · 15854-11-2(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- 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.
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- wgk
- 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers23 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
3 records
Compound notes
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