Basic information
- CAS
554405-83-3- Standard SMILES
CCOC(=O)c1c(NC(=O)CCl)sc(Br)c1-c1ccccc1- InChIKey
SXJSGJDYEPMVJO-UHFFFAOYSA-N- Molecular formula
- C15H13BrClNO3S
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 400.9488
Names & identifiers
- Preferred name
- Ethyl 5-bromo-2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylate
- IUPAC
- ethyl 5-bromo-2-[(2-chloroacetyl)amino]-4-phenylthiophene-3-carboxylate
- English name
- 5-BROMO-2-(2-CHLORO-ACETYLAMINO)-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C15H13BrClNO3S
- Molecular weight
- 402.69
Names & synonyms
554405-83-3ethyl 5-bromo-2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylateRefChem:595702966-377-75-Bromo-2-(2-chloro-acetylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl esterethyl 5-bromo-2-[(2-chloroacetyl)amino]-4-phenylthiophene-3-carboxylateC15H13BrClNO3SMFCD03968039AKOS002663322SY135923CS-0219866EN300-05166
Show more names
Ethyl 5-bromo-2-[(2-chloroacetyl)amino]-4-phenyl-3-thiophenecarboxylate3-Thiophenecarboxylic acid, 5-bromo-2-[(2-chloroacetyl)amino]-4-phenyl-, ethyl ester
G38321F642718Z56895689ethyl5-bromo-2-(2-chloroacetamido)-4-phenylthiophene-3-carboxylateethyl 5-bromo-2-[(2-chloroacetyl)amino]-4-phenyl-thiophene-3-carboxylate
Database identifiers
- CAS
554405-83-3- PubChem CID
- 3671992
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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