Bicyclo(2.2.1)hept-5-ene-2-carbonyl chloride

HCID 98233CAS 27063-48-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)C1CC2C=CC1C2
InChIKey: HXYXVFUUHSZSNV-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.03419259

Names & identifiers

Preferred name: Bicyclo(2.2.1)hept-5-ene-2-carbonyl chloride
IUPAC: bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
English name: 5-Norbornene-2-carbonyl chloride
Molecular formula: C8H9ClO
Molecular weight: 156.61

Names & synonyms

Bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride27063-48-5EINECS 248-200-9DTXSID50949819Bicyclo(2.2.1)hept-5-ene-2-carbonyl chlorideNSC 91503RefChem:568102DTXCID701001632248-200-95-Norbornene-2-carbonyl chlorideMFCD00182631bicyclo[2.2.1]hept-2-ene-5-carbonyl chloride

Show more names

SKL1314TIMTEC-BB SBB0103815-NORBORNENE-2-CARBONYL CHLORIDE 95%5-NORBORNENE-2-CARBONYL CHLORIDE, 96-98%

NSC91503Norborna-2-ene-5-carboxylic acid chlorideNorborna-5-ene-2-carboxylic acid chlorideBicyclo[2.2.1]hept-5-ene-2-carbonylchlorideBicyclo[2.2.1]hepta-5-ene-2-carbonyl chloridenorbornene-5-carbonylchlorideSCHEMBL950831Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid chloride

Database identifiers

CAS: 27063-48-5
PubChem CID: 98233
DTXSID: DTXSID50949819
EC Number: 248-200-9
Nikkaji: J308.443D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 197

Physicochemical properties

Boiling point: 79 · 79-81 °C(Press: 12 Torr)
Density: 1.256 · 1.256±0.06 g/cm3(Predicted)
InChI: InChI=1S/C8H9ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKey: HXYXVFUUHSZSNV-UHFFFAOYSA-N
SMILES: C(Cl)(C1CC2CC1C=C2)=O
CAS DataBase Reference: 27063 · 27063-48-5(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
hazard_class: IRRITANT
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501