1-Brom-3,3-dimethylbutan-2-on

Names

[ Name ]:
1-Brom-3,3-dimethylbutan-2-on

[Synonym ]:
1-Bromo-3,3-dimethylbutan-2-one
EINECS 226-794-0
2-Butanone, 1-bromo-3,3-dimethyl-
MFCD00000206
1-Brom-3,3-dimethylbutan-2-on
1-Bromo-3,3-dimethyl-2-butanone

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
189.5±0.0 °C at 760 mmHg

[ Melting Point ]:
−10 °C(lit.)

[ Molecular Formula ]:
C₆H₁₁BrO

[ Molecular Weight ]:
179.055

[ Flash Point ]:
43.8±7.2 °C

[ Exact Mass ]:
177.999313

[ PSA ]:
17.07000

[ LogP ]:
1.77

[ Vapour Pressure ]:
0.6±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.457

[ Storage condition ]:
−20°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EL7010000

CHEMICAL NAME :: 2-Butanone, 1-bromo-3,3-dimethyl-

CAS REGISTRY NUMBER :: 5469-26-1

BEILSTEIN REFERENCE NO. :: 0506485

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H11-Br-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: BDKS** "Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934 Volume(issue)/page/year: -,-,1934

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
1224

[ WGK Germany ]:
3

[ RTECS ]:
EL7010000

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

Articles

SmI2-promoted Reformatsky-type coupling reactions in exceptionally hindered contexts.

Org. Lett. 10(6) , 1291-4, (2008)

Highly substituted, very hindered enones were synthesized using a two-step procedure that utilizes a diiodosamarium-promoted Reformatsky-type coupling and dehydration using Martin sulfurane. Both alph...

Synthesis and biological activity of an azido derivative of paclobutrazol, an inhibitor of gibberellin biosynthesis.

Plant Physiol. 88(4) , 1425-9, (1988)

A photolabile azido derivative of the kaurene oxidase inhibitor 1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-l-yl) pentan-3-ol (paclobutrazol) has been synthesized for use as a photoaffinity label...

1-Bromopinacolone, an active site-directed covalent inhibitor for acetylcholinesterase.

J. Biol. Chem. 257(23) , 14087-92, (1982)

1-Bromopinacolone, BrPin, acts initially as a reversible competitive inhibitor for acetylcholinesterase, KI = 0.18 mM in hydrolysis of acetylcholine. Unlike bromoacetone, with time it acts as an irrev...