1-Brom-3,3-dimethylbutan-2-on
Names
[ CAS No. ]:
5469-26-1
[ 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
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
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
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...