CAS No.1068-52-6,SODIUM BROMOACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1068-52-6
Name:	SODIUM BROMOACETATE
Article Data:	2

Formula:	C₂H₃BrO₂.Na
Molecular Weight:	160.93
Synonyms:	Sodium bromoacetate;Sodium monobromoacetate;Bromoaceticacid sodium salt;CID14038;LS-11183;
EINECS:	-0
Melting Point:	>300 °C
Boiling Point:	207 °C at 760 mmHg
Flash Point:	79 °C
Solubility:	Soluble in water.
Hazard Symbols:	R25:Toxic if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	25-36/37/38
Safety:	22-36/37/39-45
PSA:	40.13000
LogP:	-0.86880

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Specification

The Acetic acid, bromo-,sodium salt (8CI,9CI) with CAS registry number of 1068-52-6 is also known as Sodium monobromoacetate. The IUPAC name is Sodium 2-bromoacetate. In addition, the formula is C₂H₃BrO₂.Na and the molecular weight is 160.93.

Physical properties about Acetic acid, bromo-,sodium salt (8CI,9CI) are: (1)ACD/LogP: 0.51 ]; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.22; (4)ACD/LogD (pH 7.4): -3.19; (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: 37.3Å²; (13)Flash Point: 79 °C; (14)Enthalpy of Vaporization: 48.85 kJ/mol; (15)Boiling Point: 207 °C at 760 mmHg; (16)Vapour Pressure: 0.0929 mmHg at 25 °C.

Uses of Acetic acid, bromo-,sodium salt (8CI,9CI): it is used to produce Bromoacetaldehyde. The reaction occurs with reagent 9-Borabicyclo-3.3.1-nonane and solvent Tetrahydrofuran at ambient temperature for 1 hour. The yield is about 69%.

Acetic acid, bromo-,sodium salt (8CI,9CI) is used to produce Bromoacetaldehyde.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It's toxic if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. SMILES: [Na+].[O-]C(=O)CBr
2. InChI: InChI=1/C2H3BrO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
3. InChIKey: SESSOVUNEZQNBV-REWHXWOFAV
4. Std. InChI: InChI=1S/C2H3BrO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
5. Std. InChIKey: SESSOVUNEZQNBV-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	100mg/kg (100mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 336, 1946.