CAS 5469-26-1|1-Brom-3,3-dimethylbutan-2-on

Introduction：Basic information about CAS 5469-26-1|1-Brom-3,3-dimethylbutan-2-on, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles7
7. Synonyms

Common Name	1-Brom-3,3-dimethylbutan-2-on
CAS Number	5469-26-1	Molecular Weight	179.055
Density	1.3±0.1 g/cm3	Boiling Point	189.5±0.0 °C at 760 mmHg
Molecular Formula	C₆H₁₁BrO	Melting Point	−10 °C(lit.)
MSDS	ChineseUSA	Flash Point	43.8±7.2 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	1-Bromopinacolone
Synonym	More Synonyms

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
InChIKey	SAIRZMWXVJEBMO-UHFFFAOYSA-N
SMILES	CC(C)(C)C(=O)CBr
Storage condition	−20°C

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

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%

Articles7

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...

Synonyms

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

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