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| CAS No.: | 96-32-2 |
|---|---|
| Name: | Methyl bromoacetate |
| Molecular Structure: | |
|
|
|
| Formula: | C3H5BrO2 |
| Molecular Weight: | 152.975 |
| Synonyms: | Bromoacetic acid methyl ester;Carbomethoxymethyl bromide;Methyl 2-bromoethanoate;Methylmonobromoacetate;Methyl a-bromoacetate;NSC 2642;Aceticacid, bromo-, methyl ester (6CI,7CI,8CI,9CI);2-Bromoacetic acid methyl ester; |
| EINECS: | 202-499-2 |
| Density: | 1.615 g/cm3 |
| Melting Point: | -50°C |
| Boiling Point: | 154 °C at 760 mmHg |
| Flash Point: | 62.8 °C |
| Solubility: | Miscible with methanol, ether and acetone. Slightly miscible with water |
| Appearance: | clear to slightly yellow liquid |
| Hazard Symbols: |
 T, Xi, F
|
| Risk Codes: | 25-34-37-23/24/25-40-36/37/38 |
| Safety: | 26-36/37/39-45-28A-36-16 |
| Transport Information: | UN 2643 6.1/PG 2 |
| PSA: | 26.30000 |
| LogP: | 0.55430 |
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Chemistry
Product Name: Methyl bromoacetate (CAS NO.96-32-2)
Molecular Formula: C3H5BrO2
Molecular Weight: 152.97g/mol
Mol File: 96-32-2.mol
EINECS: 202-499-2
Melting Point: -50°C
Boiling point: 154 °C at 760 mmHg
Storage Temperature: Store at R.T.
Flash Point: 62.8 °C
Density: 1.614 g/cm3
Refractive index: n20/D 1.458(lit.)
Index of Refraction: 1.449
Molar Refractivity: 25.45 cm3
Molar Volume: 94.7 cm3
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 39.08 kJ/mol
Vapour Pressure: 3.25 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Methyl bromoacetate (CAS NO.96-32-2):
IUPAC Name: methyl 2-bromoacetate
Canonical SMILES: COC(=O)CBr
InChI: InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey: YDCHPLOFQATIDS-UHFFFAOYSA-N
Product Categories: Organics; C2 to C5; Carbonyl Compounds; Esters; 500 Series Drinking Water Methods; BromoEPA; Chemical Class; Halogenated; Method 552
Uses
Methyl bromoacetate (CAS NO.96-32-2) is used to make vitamins and pharmaceuticals.
Toxicity Data With Reference
| 1. | ivn-mus LDLo:16 mg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 6 (1954),138. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. When heated to decomposition it emits toxic fumes of Br−. See also ESTERS.
Hazard Codes T
,Xi
,F
Risk Statements 25-34-37-23/24/25-40-36/37/38
R25 :Toxic if swallowed.
R34:Causes burns.
R37:Irritating to respiratory system
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R40:Limited evidence of a carcinogenic effect.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36/37/39-45-28A-36-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36:Wear suitable protective clothing.
S16:Keep away from sources of ignition.
RIDADR UN 2643 6.1/PG 2
WGK Germany 3
RTECS AF6300000
F 19
HazardClass 6.1
PackingGroup II
HS Code 29159080
Standards and Recommendations
DOT Classification: 6.1; Label: Poison
Specification
Methyl bromoacetate , its CAS NO. is 96-32-2, the synonyms are Methyl alpha-bromoacetate ; Methyl monobromoacetate ; Methylester kyseliny bromoctove ; Acetic acid, 2-bromo-, methyl ester ; Acetic acid, bromo-, methyl ester .