7-Bromobicyclo[2.2.1]heptane

HCID 565359CAS 13237-88-2

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Basic information

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 properties

XLogP: 2.5
Topological polar surface area: 0 Å²
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
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 8 · 8
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.