(2-Bromoethyl)cyclohexane (HCID 15440)

Names & identifiers

Preferred name: (2-Bromoethyl)cyclohexane
IUPAC: 2-bromoethylcyclohexane
English name: 2-Cyclohexylethyl bromide
Molecular formula: C8H15Br
Molecular weight: 191.11

Names & synonyms

(2-Bromoethyl)cyclohexane2-Cyclohexylethyl bromideCyclohexane, (2-bromoethyl)-DTXSID9075111AI3-17379NSC 6078EINECS 216-712-1NSC 46808RefChem:68575DTXCID5035290216-712-1JRQAAYVLPPGEHT-UHFFFAOYSA-N

Show more names

(2-bromoethyl)-cyclohexanecyclohexane,(2-bromoethyl)-2-Cyclohexylethyl bromide,98%1-Bromo-2-cyclohexylethane 98%2-CYCLOHEXYLETHYL BROMIDE ISO 9001：2015 REACH

1647-26-31-BROMO-2-CYCLOHEXYLETHANE2-bromoethylcyclohexane2-CyclohexylethylbromideMFCD00019398Bromoethyl cyclohexaneUNII-FJ47VAQ8KW1-bromo-2cyclohexylethane

Database identifiers

CAS: 1647-26-3
PubChem CID: 15440
DTXSID: DTXSID9075111
UNII: FJ47VAQ8KW
EC Number: 216-712-1
Nikkaji: J44.134A

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 65

Physicochemical properties

Melting point: 57 °C · 57°C
Boiling point: 209 °C · 209 °C (lit.)
Density: 1.221 g/mL · 1.221 g/mL at 25 °C (lit.)
refractive index: 1.49 · 1.4900
Flash point: 96 °C · 96°C
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
form: Liquid
color: Clear colorless to slightly yellow
BRN: 1919816 · 1919816
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey: JRQAAYVLPPGEHT-UHFFFAOYSA-N
SMILES: BrCCC1CCCCC1
CAS DataBase Reference: 1647 · 1647-26-3(CAS DataBase Reference)
FDA UNII: 47 VAQ8KW · FJ47VAQ8KW
EPA Substance Registry System: Cyclohexane, (2-bromoethyl)- (1647-26-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
PPE: Eyeshields, Gloves
Risk Statements: 36 · 36/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29021900 · 29021900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): 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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (33.3%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29021900
risk_code: 36/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Chemistry & industry

Applications · 3 items

Uses2-CYCLOHEXYLETHYL BROMIDE is a reagent used in the cross-coupling and Grignard reactions. It is used in the synthesis of immunosuppressive agents consisting of 5-phenylalkoxypsoralens as well as agon ists for human vitamin-D resistant Rickets.

Uses1-Bromo-2-cyclohexylethane may be used in the synthesis of 2-cyclohexylethyloxy-4-nitroaniline.

General Description1-Bromo-2-cyclohexylethane is a halogenated hydrocarbon. Reaction of 1-bromo-2-cyclohexylethane with pillar[5]arene has been investigated.