Cyclohexyl bromide

HCID 7960CAS 108-85-0
Substructure searchFind similar structures

Basic information

Standard SMILES
BrC1CCCCC1
InChIKey
AQNQQHJNRPDOQV-UHFFFAOYSA-N
Molecular formula
C6H11Br
Average molar mass
163.06 g/mol
Monoisotopic mass
162.00441

Names & identifiers

Preferred name
Cyclohexyl bromide
IUPAC
bromocyclohexane
English name
Bromocyclohexane
Molecular formula
C6H11Br
Molecular weight
163.06

Names & synonyms

BROMOCYCLOHEXANE108-85-0Cyclohexyl bromideCyclohexane, bromo-1-BromocyclohexaneYA0UMS4RNYEINECS 203-622-2NSC 11207AI3-28585NSC-11207CYCLOHEXYL BROMIDE [MI]DTXSID1044148
Show more names
CyclohexylbromidBromocylohexanebromo-cyclohexanBroMocyclohexanceCyclohexane,bromo-Cyelohexyl bromideBromocyclohexane>
1BromocyclohexaneCyclohexane, bromoRefChem:580805DTXCID9024148203-622-2InChI=1/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5Hbromo-cyclohexaneMFCD00003819

Database identifiers

CAS
108-85-0
PubChem CID
7960
DTXSID
DTXSID1044148
UNII
YA0UMS4RNY
EC Number
203-622-2
Nikkaji
J5.082B

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Vapor Pressure3.62 [mmHg]
Physical DescriptionLiquid with a penetrating odor; [Merck Index] Colorless liquid with an unpleasant odor; [Acros Organics MSDS]
Kovats Retention Index · 3 items

969；969；1023；970.2；969；969；975

984；1009；1009；1023

1303；1303；1288

Physicochemical properties

Melting point
-57 °C · -57°C
Boiling point
166 · 166-167 °C (lit.)
Density
1.324 g/mL · 1.324 g/mL at 25 °C (lit.)
vapor density
5.62 · 5.62 (vs air)
refractive index
20 · n20/D 1.495(lit.)
Flash point
145 °F · 145 °F

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.

Warning

H227 (11.1%): Combustible liquid [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (22.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 9 reports by companies.；There are 4 notifications provided by 7 of 9 reports by companies with hazard statement code(s).；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

Regulatory Information · 3 items

Chemical: Cyclohexane, bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906

Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Chlorocyclohexane. See 1-Bromohexane.
Hazard Classes and CategoriesFlam. Liq. 4 (11.1%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)；Aquatic Chronic 2 (22.2%)

Regulatory information

Regulatory Information · 3 items

Chemical: Cyclohexane, bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906

Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
8
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
GU7171700
hs_code
29035990

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate; [REPROTOX]
General Manufacturing InformationCyclohexane, bromo-: ACTIVE
Applications · 2 items

UsesBromocyclohexane has been used to study the ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane using vacuum ultraviolet mass-analyzed threshold ionization spectroscopy.

General DescriptionAxial conformer of bromocyclohexane forms inclusion complexes with 9,9′-bianthryl and exhibits a weak 1,3 diaxial Cl...H interaction. It participates in the alkylation reaction of of para-xylene in the presence of graphite as catalyst to yield hydrocarbon.

Preparation methods

PreparationBromocyclohexane is synthesized by the reaction of cycloethanol and hydrobromic acid.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

Related reactions

224 records
New reaction record

Linked notes

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