Basic information
- CAS
868-68-8- Standard SMILES
CCOC(=O)C(Br)CCCC(Br)C(=O)OCC- InChIKey
SPJSPERKKWTTBF-UHFFFAOYSA-N- Molecular formula
- C11H18Br2O4
- Average molar mass
- 374.07 g/mol
- Monoisotopic mass
- 371.95718
Names & identifiers
- Preferred name
- Diethyl 2,6-dibromoheptanedioate
- IUPAC
- diethyl 2,6-dibromoheptanedioate
- English name
- Diethyl 2,6-dibromoheptanedioate
- Molecular formula
- C11H18Br2O4
- Molecular weight
- 374.07
Names & synonyms
Diethyl 2,6-dibromoheptanedioateEINECS 212-781-7DTXSID301007088NSC 7735RefChem:587075DTXCID201433949212-781-7868-68-8MFCD00087327C11H18Br2O4Diethyl2,6-dibromoheptanedioateNSC7735
Show more names
Diethyl 2,6-dibromoh2,6-Dibromoheptanedioic acid diethyl esterHeptanedioic acid, 2,6-dibromo-, 1,7-diethyl ester
SCHEMBL1415641SPJSPERKKWTTBF-UHFFFAOYSA-NNSC-7735AKOS007930767DB-029654NS00043024
Database identifiers
- CAS
868-68-8- PubChem CID
- 95412
- DTXSID
DTXSID301007088- EC Number
- 212-781-7
- Nikkaji
- J195.140H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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