Basic information
- CAS
30913-86-1- Standard SMILES
COC(=O)CCC(=O)c1ccc(Br)cc1- InChIKey
NSIXBKXISVRTCO-UHFFFAOYSA-N- Molecular formula
- C11H11BrO3
- Average molar mass
- 271.11 g/mol
- Monoisotopic mass
- 269.98916
Names & identifiers
- Preferred name
- Methyl 4-(4-bromophenyl)-4-oxobutanoate
- IUPAC
- methyl 4-(4-bromophenyl)-4-oxobutanoate
- English name
- Methyl4-(4-bromophenyl)-4-oxobutanoate
- Molecular formula
- C11H11BrO3
- Molecular weight
- 271.11
Names & synonyms
methyl 4-(4-bromophenyl)-4-oxobutanoate30913-86-1DTXSID50356968RefChem:355390DTXCID90308027959-365-8MFCD03090515methyl 4-(4-bromophenyl)-4-oxobutyrateBenzenebutanoic acid, 4-bromo-gamma-oxo-, methyl esterMETHYL4-(4-BROMOPHENYL)-4-OXOBUTANOATE4-(4-bromo-phenyl)-4-oxo-butyric acid methyl esterSCHEMBL7398
Show more names
Methyl 4-bromo-γ-oxobenzenebutanoateMethyl 4-bromo-γ-oxobenzenebutanoate4-(4-bromophenyl)-4-oxybutyric acidmethyl esterBenzenebutanoic acid, 4-bromo-γ-oxo-, methyl esterBenzenebutanoic acid, 4-broMo-g-oxo-, Methyl ester
NSIXBKXISVRTCO-UHFFFAOYSA-NSBB079270AKOS005169877DS-4309Methyl 4-bromo-gamma-oxobenzenebutanoateSY060445methyl 4-(4-bromophenyl)-4-oxo-butanoateDB-114728
Database identifiers
- CAS
30913-86-1- PubChem CID
- 838865
- DTXSID
DTXSID50356968
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 50 · 50-52°C
- Boiling point
- 364.1 · 364.1±27.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- HS Code
- 2918199890 · 2918199890
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Safety data
- hs_code
- 2918199890
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
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]
菏泽博纳医药科技有限公司15865805009 · [email protected]
白银承泽化工科技有限公司+86 943-8535351 13389336721 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海康恩博医药科技有限公司
Related reactions
30 records
Compound notes
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