CAS No.598-72-1,DL-2-Bromopropionic Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	598-72-1
Name:	DL-2-Bromopropionic
Article Data:	43

Formula:	C₃H₅BrO₂
Molecular Weight:	152.975
Synonyms:	2-bromopropanoic acid;Methylbromoacetate;propanoic acid, 2-bromo-;α-Bromopropionic acid;
EINECS:	209-947-6
Density:	1.773 g/cm³
Melting Point:	25.7 °C
Boiling Point:	202.6 °C at 760 mmHg
Flash Point:	76.3 °C
Solubility:	soluble in water
Appearance:	clear colorless to yellowish liquid after melting
Hazard Symbols:	C,Xi,F
Risk Codes:	22-34-40-36/37/38
Safety:	26-36/37/39-45-16
Transport Information:	UN 3265 8/PG 2
PSA:	37.30000
LogP:	0.85440

Synthetic route

: 802294-64-0
propionic acid

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With N-Bromosuccinimide; sulfuric acid In trifluoroacetic acid at 85℃; for 16h;	89%
With sulfuric acid; potassium bromide
With bromine verschiedene Katalysatoren;

: 10443-65-9
2-bromo-2-propenoic acid

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With phenylsilane; C12H23N2O2P In tetrahydrofuran at 23℃; for 2h;	88%

: 302-72-7
rac-Ala-OH

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With pyridinium polyhydrogen fluoride; potassium bromide; sodium nitrite for 48h; Ambient temperature;	77%
With hydrogen bromide; potassium bromide; sodium nitrite at -13℃;
With hydrogen bromide; sodium nitrite In water

: 802294-64-0
propionic acid

A: 590-92-1
3-Bromopropionic acid

B: 107-94-8
chloropropionic acid

C: 598-72-1
2-Bromopropionic acid

D: 598-78-7
(R,S)-2-chloropropionic acid

Conditions

Conditions	Yield
With hydrogenchloride; oxygen; potassium bromide; sodium nitrite In chloroform; water at 40℃; under 760.051 Torr; for 18h; Sealed tube; Irradiation;	A 65% B n/a C 23% D n/a

...Expand

: 13076-17-0
L,L-dilactide

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With hydrogen bromide In cyclohexane at 120℃; for 5h;	60%

: 849585-22-4
LACTIC ACID

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With hydrogen bromide at 100℃;

: 1,4-dibromo-2-methyl-pent-2-ene

A: 598-72-1
2-Bromopropionic acid

B: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
bei der Ozonspaltung und nachfolgenden Oxydation mit H2O2;

: 13195-80-7
1,1-dibromopropene

: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
With oxygen

: 558-13-4
carbon tetrabromide

: 802294-64-0
propionic acid

A: 590-92-1
3-Bromopropionic acid

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
at 150 - 180℃;
at 150 - 180℃;

...Expand

: 5445-17-0
Methyl 2-bromopropionate

A: 67-56-1
methanol

B: 598-72-1
2-Bromopropionic acid

Conditions

Conditions	Yield
subtilisin In water at 30℃; Kinetics;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The DL-2-Bromopropionic acid, with the CAS registry number 598-72-1 and EINECS registry number 209-947-6, has the systematic name of 2-bromopropanoic acid. And the molecular formula of this chemical is C₃H₅BrO₂. It is a kind of clear colorless to yellowish liquid after melting, and belongs to the following product categories: Organic acids; Acid based bromo compounds; 500 Series Drinking Water Methods; Alpha Sort; B; BI - BZEPA; Method 552; Volatiles/ Semivolatiles; C1 to C5; Carbonyl Compounds; Carboxylic Acids. What's more, it is used as intemediate in organic sythesis, and also used in the produce of napropamid and berbicides.

The physical properties of DL-2-Bromopropionic acid are as following: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 25.2 cm³; (15)Molar Volume: 86.2 cm³; (16)Polarizability: 9.9×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.773 g/cm³; (19)Flash Point: 76.3 °C; (20)Enthalpy of Vaporization: 48.37 kJ/mol; (21)Boiling Point: 202.6 °C at 760 mmHg; (22)Vapour Pressure: 0.12 mmHg at 25°C.

Uses of Propanoicacid, 2-bromo-: It can react with 2-methyl-propene to produce 2-bromo-propionic acid tert-butyl ester. This reaction will need reagent H₂SO₄, and the solvent CH₂Cl₂.

Propanoicacid, 2-bromo- can react with 2-methyl-propene to produce 2-bromo-propionic acid tert-butyl ester

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. What's more, it may cause burns and carcinogenic effect. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)O)C
(2)InChI: InChI=1/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
(3)InChIKey: MONMFXREYOKQTI-UHFFFAOYAA