Basic information
- CAS
5333-88-0- Standard SMILES
CCCCCC(Br)C(=O)OCC- InChIKey
GNCLPIAYAPQPOU-UHFFFAOYSA-N- Molecular formula
- C9H17BrO2
- Average molar mass
- 237.13 g/mol
- Monoisotopic mass
- 236.04119188
Names & identifiers
- Preferred name
- Ethyl 2-bromoheptanoate
- IUPAC
- ethyl 2-bromoheptanoate
- English name
- Ethyl 2-bromoheptanoate
- Molecular formula
- C9H17BrO2
- Molecular weight
- 237.13
Names & synonyms
Ethyl 2-bromoheptanoate5333-88-0Heptanoic acid, 2-bromo-, ethyl esterEINECS 226-249-7AI3-37648DTXSID301285876NSC 2356RefChem:594260DTXCID501716554226-249-7Ethyl alpha-bromoheptanoate2-bromoheptanoic acid ethyl ester
Show more names
2-ethyl bromopropionateETHYL 2-BROMO HEPTANOATE
2-bromo-heptanoic acid ethyl esterEthyl .alpha.-bromoheptanoateethyl 2bromoheptanoateethyl 2-bromoheptanateethyl-2-bromoheptanoateEthyl 2-bromoheptanoate #ETHYL A-BROMOHEPTANOATESCHEMBL1566554
Database identifiers
- CAS
5333-88-0- PubChem CID
- 95333
- DTXSID
DTXSID301285876- EC Number
- 226-249-7
- Nikkaji
- J217.892C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 109 °C10 · 109 °C10 mm Hg(lit.)
- Density
- 1.211 g/mL · 1.211 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.452(lit.)
- Flash point
- 220 °F · 220 °F
- NIST Chemistry Reference
- Ethyl «alpha»-bromoheptanoate(5333-88-0)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H335
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers26 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
武汉贝乐叶生物医药科技有限公司15871353653 18086118076 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
青岛海力诺化工有限公司[email protected]
格莱斯兰德（天津）医药科技有限公司022-83705301 13752403750
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Jinjiangchem Corporation512-50133713 · [email protected]
重庆卡兰医药有限公司[email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
19 records
Compound notes
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