Basic information
- CAS
22098-10-8- Standard SMILES
CCOC(=O)C(=O)c1ccc(Br)s1- InChIKey
PMBGHMBDWGNJJE-UHFFFAOYSA-N- Molecular formula
- C8H7BrO3S
- Average molar mass
- 263.11 g/mol
- Monoisotopic mass
- 261.92992718
Names & identifiers
- Preferred name
- Ethyl (5-bromothiophen-2-yl)(oxo)acetate
- IUPAC
- ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate
- English name
- Ethyl (5-bromothien-2-yl)glyoxylate
- Molecular formula
- C8H7BrO3S
- Molecular weight
- 263.11
Names & synonyms
22098-10-8DTXSID30371316Ethyl (5-bromothiophen-2-yl)(oxo)acetateRefChem:341797DTXCID00322350ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetateEthyl (5-bromothien-2-yl)glyoxylateMFCD00085056Ethyl 2-(5-bromo-2-thienyl)-2-oxoacetateEthyl 5-bromothiophene-2-glyoxylate5-Bromothiophene 2-Oxoacetic Acid Ethyl Ester2-BROMO-5-[ETHOXY(OXO)ACETYL]THIOPHENE
Show more names
ethyl 2-(5-bromothienyl)glyoxalateETHYL 2-(5-BROMOTHIEN-2-YL)GLYOXYLATEEthyl(5-bromothien-2-yl)(oxo)acetate97%Ethyl (5-bromothien-2-yl)glyoxylate 97%Ethyl (5-bromothien-2-yl)(oxo)acetate 97%
SCHEMBL1164276PMBGHMBDWGNJJE-UHFFFAOYSA-Nethyl (5-bromo-2-thienyl)glyoxylateAKOS009158899PS-5810Ethyl (5-bromothien-2-yl)(oxo)acetateethyl 2-(5-bromothien-2-yl)glyoxalateSY211194
Database identifiers
- CAS
22098-10-8- PubChem CID
- 2736376
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 70 · 70-72
- Boiling point
- 325 · 325.0±27.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 22098 · 22098-10-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Bromothiophene 2-Oxoacetic Acid Ethyl Ester is a useful synthetic intermediate in the synthesis of 5-Bromothiophene 2-Oxoacetic Acid (B688230); a reagent used in the synthesis of N-quinuclidinyl amides for use in therapy as M3 muscarinic receptor antagonists.
Suppliers19 total
安徽合诺生物科技有限公司0555-2761852
常州金和生物科技有限公司18796930758 · [email protected]
上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]
Aladdin Scientific[email protected]
安徽合诺生物科技有限公司18455579438
上海相辉医药科技有限公司13761987713 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司
Related reactions
7 records
Compound notes
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