Basic information
- CAS
51175-79-2- Standard SMILES
COC(=O)C1(Br)CCC1- InChIKey
KOKFKKDTWBKYTQ-UHFFFAOYSA-N- Molecular formula
- C6H9BrO2
- Average molar mass
- 193.04 g/mol
- Monoisotopic mass
- 191.97859
Names & identifiers
- Preferred name
- Methyl 1-bromocyclobutane-1-carboxylate
- IUPAC
- methyl 1-bromocyclobutane-1-carboxylate
- English name
- Cyclobutanecarboxylic acid, 1-broMo-, Methyl ester
- Molecular formula
- C6H9BrO2
- Molecular weight
- 193.04
Names & synonyms
methyl 1-bromocyclobutane-1-carboxylateRefChem:812691873-607-9Methyl 1-bromocyclobutanecarboxylate51175-79-2Cyclobutanecarboxylic acid, 1-bromo-, methyl esterMFCD129226691-Bromocyclobutanecarboxylic acid methyl esterSCHEMBL691739DTXSID50341657Methyl1-bromocyclobutanecarboxylateBCA17579
Show more names
methyl α-bromocyclobutanecarboxylate
AKOS006336457Methyl 1-bromocyclobutanecarboxylate #FS-5998methyl alpha-bromocyclobutanecarboxylateSY123286DB-326117CS-00372711-bromo-cyclobutanecarboxylic acid methyl ester
Database identifiers
- CAS
51175-79-2- PubChem CID
- 574698
- DTXSID
DTXSID50341657- EC Number
- 873-607-9
- Nikkaji
- J702.828H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Suppliers34 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海法默生物科技有限公司02136680027 15800370750 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
南京恩德萨生物科技有限公司025-58862853 18915922038 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
Related reactions
4 records
Compound notes
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