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Bromoacetic Acid CAS No.:79-08-3

Bromoacetic Acid CAS No.:79-08-3

Bromoacetic acid Specification The Bromoacetic acid, with the CAS registry number 79-08-3, is also known as Acide bromacetique. It belongs to the product categories of Pharmaceutical Intermediates; Aliphatics; Carboxylic Acids; Acid Based Bromo Compounds; omega-Bromocarboxylic Acids;...

Name

Bromoacetic acid

EINECS

201-175-8

CAS No.

79-08-3

Density

1.934 g/cm3

Solubility

miscible with water

Melting Point

46-49 °C

Formula

C2H3BrO2

Boiling Point

207.036 °C at 760 mmHg

Molecular Weight

138.04

Flash Point

79.013 °C

Transport Information

UN 1938/3425

Appearance

white to light yellow crystalline mass

Safety

26-36/37/39-45-61-36-16

Risk Codes

23/24/25-35-50-40-36/37/38

Molecular Structure

1.jpg

Hazard Symbols

6.jpgT, 2(002).jpgC, 


3(001).jpgXi, 2(001).jpgF, 


4(001).jpgN

Synonyms

Acide bromacetique;




Bromoacetic acid Specification

The Bromoacetic acid, with the CAS registry number 79-08-3, is also known as Acide bromacetique. It belongs to the product categories of Pharmaceutical Intermediates; Aliphatics; Carboxylic Acids; Acid Based Bromo Compounds; omega-Bromocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Carboxylic Acids; 500 Series Drinking Water Methods; Bromo EPA;Chemical Class; Method 552; C1 to C5 Chemical Synthesis; Carbonyl Compounds; A-B Chemical Class; Organic Acids Essential Chemicals; Reagent Grade; Routine Reagents; A-B Alphabetic; Alpha Sort; B; BI - BZ Chemical Class; Bromo; Halogenated; Volatiles/ Semivolatiles; Chemical Synthesis; Organic Acids; Synthetic Reagents. Its EINECS registry number is 201-175-8. This chemical's molecular formula is C2H3BrO2 and molecular weight is 138.95. Its IUPAC name is called 2-bromoacetic acid. What's more, this chemical's classification code is Mutation data. Bromoacetic acid and its esters are widely used building blocks in organic synthesis, for example in pharmaceutical chemistry.

Physical properties of Bromoacetic acid: (1)ACD/LogP: 0.51; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.506; (10)Molar Refractivity: 20.611 cm3; (11)Molar Volume: 69.356 cm3; (12)Surface Tension: 51.346 dyne/cm; (13)Density: 2.003 g/cm3; (14)Flash Point: 79.013 °C; (15)Enthalpy of Vaporization: 48.852 kJ/mol; (16)Boiling Point: 207.036 °C at 760 mmHg; (17)Vapour Pressure: 0.093 mmHg at 25°C.

Preparation of Bromoacetic acid: this chemical can be prepared by chloroactic acid and hydrogen.

ClCH3COOH+HBr→BrCH2COOH+HCl


When you are using this chemical, please be cautious about it as the following:

This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:

(1)Canonical SMILES: C(C(=O)O)Br

(2)InChI: InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)

(3)InChIKey: KDPAWGWELVVRCH-UHFFFAOYSA-N


The toxicity data is as follows:

Organism

Test Type

Route

Reported Dose  (Normalized Dose)

Effect

Source

dog

LD

intravenous

> 24mg/kg (24mg/kg)

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE
BEHAVIORAL: ATAXIA
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

Acta Pharmacologica et Toxicologica. Vol. 11, Pg. 33, 1955.

dog

LD

oral

> 48mg/kg (48mg/kg)

BEHAVIORAL: ATAXIA
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
GASTROINTESTINAL: NAUSEA OR VOMITING

Acta Pharmacologica et Toxicologica. Vol. 11, Pg. 33, 1955.

guinea pig

LDLo

skin

500mg/kg (500mg/kg)


National Technical Information Service. Vol. OTS0555280,

mouse

LD50

intraperitoneal

66mg/kg (66mg/kg)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963.

mouse

LD50

oral

100mg/kg (100mg/kg)


United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0391-1149,

rabbit

LD50

skin

59900ug/kg (59.9mg/kg)


National Technical Information Service. Vol. OTS0555280,

rabbit

LDLo

intravenous

45mg/kg (45mg/kg)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
BEHAVIORAL: REGIDITY
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 160, Pg. 551, 1931.

rat

LCLo

inhalation

114gm/m3/30M (114000mg/m3)


Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978.

rat

LD50

intraperitoneal

50mg/kg (50mg/kg)


Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978.

rat

LD50

oral

50mg/kg (50mg/kg)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: REGIDITY

National Technical Information Service. Vol. OTS0555280,

rat

LD50

skin

100mg/kg (100mg/kg)


United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0191-1149S,

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