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2-Chlorocyclooctanone

HCID 107343
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4828-34-6
Standard SMILES
O=C1CCCCCCC1Cl
InChIKey
ZUHGCXDUBLZMAG-UHFFFAOYSA-N
Molecular formula
C8H13ClO
Average molar mass
160.64 g/mol
Monoisotopic mass
160.0654927

Names & identifiers

Preferred name
2-Chlorocyclooctanone
IUPAC
2-chlorocyclooctan-1-one
English name
2-CHLOROCYCLOOCTANONE
Molecular formula
C8H13ClO
Molecular weight
160.64

Names & synonyms

2-ChlorocyclooctanoneRefChem:470407679-918-44828-34-62-chlorocyclooctan-1-onealpha-ChlorocyclooctanoneCyclooctanone, 2-chloro-BRN 19298922-chloro-cyclooctan-1-one4-07-00-00050 (Beilstein Handbook Reference)SCHEMBL8498779DTXSID60964038
Show more names
2-chloro-cyclooctanon2-Chloro-1-cyclooctanone
DB-051539

Database identifiers

CAS
4828-34-6
PubChem CID
107343
DTXSID
DTXSID60964038
EC Number
679-918-4
Nikkaji
J48.249H

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
122

Physicochemical properties

Boiling point
96 · 96-98 °C(Press: 6 Torr)
Density
1.137 g/cm3 · 1.1370 g/cm3(Temp: 15 °C)
storage temp.
Freezer
CAS DataBase Reference
4828 · 4828-34-6
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H315
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes
Xi
Risk Statements
20 · 20/21/22-36/37/38-43
Safety Statements
36 · 36/37/39-36/37
RTECS
175000 · GY0175000

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

rtecs
GY0175000
risk_code
20/21/22-36/37/38-43
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
36/37/39-36/37
Hazard statements
H319-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers7 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

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Compound notes

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