Basic information
- CAS
7697-09-8- Standard SMILES
BrC12CCC(CC1)CC2- InChIKey
GKIJLFQCRFWQCZ-UHFFFAOYSA-N- Molecular formula
- C8H13Br
- Average molar mass
- 189.09 g/mol
- Monoisotopic mass
- 188.02006
Names & identifiers
- Preferred name
- 1-Bromobicyclo(2.2.2)octane
- IUPAC
- 1-bromobicyclo[2.2.2]octane
- English name
- 1-bromobicyclo[2.2.2]octane
- Molecular formula
- C8H13Br
- Molecular weight
- 189.09
Names & synonyms
1-Bromobicyclo[2.2.2]octaneBicyclo[2.2.2]octane, 1-bromo-Bicyclo(2.2.2)octane, 1-bromo-DTXSID902277491-Bromobicyclo(2.2.2)octaneRefChem:75156DTXCID90150240869-288-0GKIJLFQCRFWQCZ-UHFFFAOYSA-NInChI=1/C8H13Br/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H7697-09-8MFCD00213772
Show more names
SCHEMBL1819721SCHEMBL116092681-Bromo-bicyclo[2.2.2]octaneCS-0092245D75327EN300-1718803
Database identifiers
- CAS
7697-09-8- PubChem CID
- 139060
- DTXSID
DTXSID90227749- EC Number
- 869-288-0
- Nikkaji
- J103.807I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98
Physicochemical properties
- Melting point
- 63 · 63-64 °C
- Boiling point
- 198.2 · 198.2±9.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
6 records
Compound notes
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