Basic information
- Standard SMILES
CCOC(=O)C1(Br)CCC1- InChIKey
UTVNSHXHFRIXMM-UHFFFAOYSA-N- Molecular formula
- C7H11BrO2
- Average molar mass
- 207.06 g/mol
- Monoisotopic mass
- 205.99424169
Names & identifiers
- Preferred name
- Ethyl 1-bromocyclobutanecarboxylate
- IUPAC
- ethyl 1-bromocyclobutane-1-carboxylate
- English name
- 1-BROMO-CYCLOBUTANECARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C7H11BrO2
- Molecular weight
- 207.07
Names & synonyms
Ethyl 1-bromocyclobutanecarboxylate35120-18-41-Bromocyclobutanecarboxylic acid ethyl esterEthyl alpha-bromocyclobutanecarboxylateCyclobutanecarboxylic acid, 1-bromo-, ethyl esterAX1RMD8FYJethyl 1-bromocyclobutanoateNSC-135010Ethyl .alpha.-bromocyclobutanecarboxylateDTXSID90188624NSC 135010RefChem:138477
Show more names
1-Bromo-1-carbethoxycyclobutane1-Ethoxycarbonyl-1-bromocyclobutaneEthyl1-bromocyclobutanecarboxylate,95%Ethyl 1-broMocyclobutanecarboxylate 96%Ethyl 1-bromocyclobutanecarboxylate,96%1-Bromocyclobutanecarboxylic acid ethyl
DTXCID50111115UTVNSHXHFRIXMM-UHFFFAOYSA-Nethyl 1-bromocyclobutane-1-carboxylateMFCD000013221-bromo-cyclobutanecarboxylic acid ethyl esterEINECS 252-384-6UNII-AX1RMD8FYJSCHEMBL311023
Database identifiers
- CAS
35120-18-4- PubChem CID
- 97595
- DTXSID
DTXSID90188624- UNII
- AX1RMD8FYJ
- EC Number
- 252-384-6
- Nikkaji
- J321B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 85 · 85-88 °C12 mm Hg(lit.)
- Density
- 1.279 g/mL · 1.279 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.471(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless
- Stability
- Light Sensitive
- InChI
- 1S/C7H11BrO2/c1-2-10-6(9)7(8)4-3-5-7/h2-5H2,1H3
- InChIKey
- UTVNSHXHFRIXMM-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C1(Br)CCC1
- CAS DataBase Reference
- 35120 · 35120-18-4
- FDA UNII
- 1 RMD8FYJ · AX1RMD8FYJ
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29162000 · 29162000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.7%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29162000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
UsesEthyl 1-bromocyclobutanecarboxylate was used in the synthesis of 1aminocyclobutane carboxylic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
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Shanghai Famo Biotech Co Ltd+86-36680037 +86-18550473860 · [email protected]
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上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
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Related reactions
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