7-Bromobicyclo[2.2.1]heptane
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Basic information
- CAS
13237-88-2- Standard SMILES
BrC1C2CCC1CC2- InChIKey
WHGPQZJYJWIBGZ-UHFFFAOYSA-N- Molecular formula
- C7H11Br
- Average molar mass
- 175.07 g/mol
- Monoisotopic mass
- 174.00441245
Names & identifiers
- Preferred name
- 7-Bromobicyclo[2.2.1]heptane
- IUPAC
- 7-bromobicyclo[2.2.1]heptane
- English name
- 7-Bromobicyclo[2.2.1]heptane
- Molecular formula
- C7H11Br
- Molecular weight
- 175.07
Names & synonyms
7-Bromobicyclo[2.2.1]heptaneDTXSID203405117-Bromobicyclo(2.2.1)heptaneRefChem:545927DTXCID00291592625-649-213237-88-27-BromonorbornaneBicyclo[2.2.1]heptane, 7-bromo-MFCD00674502MFCD20542774SCHEMBL1067060
Show more names
Bicyclo[2.2.1]heptane, 7-bromo- (9CI)7-bromobicyclo[2.2.1]heptane - [AC77737]7-Bromobicyclo[2.2.1]heptane technical, >=90%
SCHEMBL173115417-bromo-bicyclo[2.2.1]heptane7-Bromobicyclo[2.2.1]heptane #SBB054711AKOS0221776487-BROMO-BICYCLO-(2,2,1)-HEPTANEDB-369543CS-0107785
Database identifiers
- CAS
13237-88-2- PubChem CID
- 565359
- DTXSID
DTXSID20340511- EC Number
- 625-649-2
- Nikkaji
- J3.157.814K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Boiling point
- 75 °C20 · 75 °C20 mm Hg(lit.)
- Density
- 1.38 g/mL · 1.38 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.518
- BRN
- 1919875 · 1919875
- InChI
- 1S/C7H11Br/c8-7-5-1-2-6(7)4-3-5/h5-7H,1-4H2/t5-,6+,7
- InChIKey
- WHGPQZJYJWIBGZ-MEKDEQNOSA-N
- SMILES
- BrC1[C@H]2CC[C@@H]1CC2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses7-Bromobicyclo[2.2.1]heptane(7-Bromonorbornane) was used in the synthesis of methyl norbornane-7-carboxylate.
Related reactions
4 records
Compound notes
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