Cyclododecanone,2-bromo-

Modify Date: 2025-09-12 08:56:12

Cyclododecanone,2-bromo- Structure
Cyclododecanone,2-bromo- structure
 Common Name Cyclododecanone,2-bromo-
CAS Number 31236-94-9 Molecular Weight 261.19900
Density 1.167g/cm3 Boiling Point 326.1ºC at 760mmHg
Molecular Formula C12H21BrO Melting Point N/A
MSDS N/A Flash Point 30.4ºC

 Names

Name 2-bromocyclododecan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.167g/cm3
Boiling Point 326.1ºC at 760mmHg
Molecular Formula C12H21BrO
Molecular Weight 261.19900
Flash Point 30.4ºC
Exact Mass 260.07800
PSA 17.07000
LogP 4.23360
Index of Refraction 1.477
InChIKey YGXQOFXPYXFZFY-UHFFFAOYSA-N
SMILES O=C1CCCCCCCCCCC1Br

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU2302000
CHEMICAL NAME :
Cyclododecanone, 2-bromo-
CAS REGISTRY NUMBER :
31236-94-9
BEILSTEIN REFERENCE NO. :
2250185
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H21-Br-O
MOLECULAR WEIGHT :
261.24
WISWESSER LINE NOTATION :
L-12-VTJ BE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03427

 Safety Information

HS Code 2914700090

 Synthetic Route

1-Acetoxy-cis-cyclododecen structure

1-Acetoxy-cis-c...

CAS#:71365-98-5

~95%

Cyclododecanone,2-bromo- Structure

Cyclododecanone...

CAS#:31236-94-9

Literature: Torii, Sigeru; Inokuchi, Tsutomu; Misima, Seiji; Kobayashi, Takesi Journal of Organic Chemistry, 1980 , vol. 45, # 13 p. 2731 - 2735
Cyclododecanone structure

Cyclododecanone

CAS#:830-13-7

~%

Cyclododecanone,2-bromo- Structure

Cyclododecanone...

CAS#:31236-94-9

Literature: Arbuj, Sudhir S.; Waghmode, Suresh B.; Ramaswamy Tetrahedron Letters, 2007 , vol. 48, # 8 p. 1411 - 1415
cyclododecyl acetate structure

cyclododecyl acetate

CAS#:6221-92-7

~%

Cyclododecanone,2-bromo- Structure

Cyclododecanone...

CAS#:31236-94-9

Literature: Leonard; Owens Journal of the American Chemical Society, 1958 , vol. 80, p. 6039,6044
cis-2-bromocyclododecan-1-ol structure

cis-2-bromocycl...

CAS#:61153-78-4

~%

Cyclododecanone,2-bromo- Structure

Cyclododecanone...

CAS#:31236-94-9

Literature: Zakharkin,L.I.; Korneva,V.V. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1962 , p. 1724 - 1726 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1962 , # 10 p. 1817 - 1821
Cyclododecanone structure

Cyclododecanone

CAS#:830-13-7

~38%

Cyclododecanone,2,12-dibromo- structure

Cyclododecanone...

CAS#:24459-40-3

Cyclododecanone,2-bromo- Structure

Cyclododecanone...

CAS#:31236-94-9

Literature: Barkoczy, Jozsef; Szabo, Eva; Reiter, Jozsef Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 4 p. 1019 - 1024
14-Oxabicyclo[11.1.0]tetradecane structure

14-Oxabicyclo[1...

CAS#:286-99-7

~%

Cyclododecanone,2-bromo- Structure

Cyclododecanone...

CAS#:31236-94-9

Literature: Zakharkin,L.I.; Korneva,V.V. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1962 , p. 1724 - 1726 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1962 , # 10 p. 1817 - 1821

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

2-Bromocyclododecanone
CYCLODODECANONE,2-BROMO
EINECS 250-524-0
2-Brom-cyclododecanon
2-Brom-cyclododecanon-(1)
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