Basic information
- CAS
13618-83-2- Standard SMILES
BrC1CCC(Br)CC1- InChIKey
OALGWDQLKYPDRK-UHFFFAOYSA-N- Molecular formula
- C6H10Br2
- Average molar mass
- 241.95 g/mol
- Monoisotopic mass
- 239.91493
Names & identifiers
- Preferred name
- 1,4-Dibromocyclohexane
- IUPAC
- 1,4-dibromocyclohexane
- English name
- 1β,4α-Dibromocyclohexane
- Molecular formula
- C6H10Br2
- Molecular weight
- 241.95
Names & synonyms
1,4-DIBROMOCYCLOHEXANECyclohexane, 1,4-dibromo-EINECS 252-349-5DTXSID6067888RefChem:73212DTXCID3038939252-349-5OALGWDQLKYPDRK-UHFFFAOYSA-N35076-92-713618-83-2TRANS-1,4-DIBROMOCYCLOHEXANEcis-1,4-Dibromocyclohexane
Show more names
1β,4α-Dibromocyclohexane1β,4α-Dibromocyclohexane 99
16661-99-7MFCD000142811,4-dibromo-cyclohexaneCyclohexane, 1,4-dibromo-, trans-NSC16622(1R,4R)-1,4-DIBROMOCYCLOHEXANESCHEMBL3212864SCHEMBL3212874
Database identifiers
- CAS
13618-83-2、35076-92-7- PubChem CID
- 37040
- DTXSID
DTXSID6067888- EC Number
- 252-349-5
- Nikkaji
- J61.217K、J61.218I、J88.988A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 54.9
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- Boiling point
- 224.9 · 224.9±15.0 °C(Predicted)
- Density
- 1.789 · 1.789±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C6H10Br2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4H2/t5-,6-
- InChIKey
- OALGWDQLKYPDRK-IZLXSQMJSA-N
- SMILES
- [C@@H]1(Br)CC[C@@H](Br)CC1
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexane, 1,4-dibromo-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers16 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
QINGDAO KAIENSI INTERNATIONAL TRADE CO.,LTD.+86-0532-8699-9256 +86-18518128472 · [email protected]
郑州众威生物科技有限公司0371-65522997 15538076971 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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