Bromomethyl acetate (HCID 68536)

Names & identifiers

Preferred name: Bromomethyl acetate
IUPAC: bromomethyl acetate
English name: Bromomethyl acetate
Molecular formula: C3H5BrO2
Molecular weight: 152.97

Names & synonyms

Bromomethyl acetateBromomethanol acetateMethanol, bromo-, acetateMethanol, 1-bromo-, 1-acetateDTXSID00883451EINECS 209-696-2RefChem:121600DTXCID501022981209-696-2590-97-6acetic acid bromomethyl esterAcetoxymethyl Bromide

Show more names

brommethylacetatBromomethyl acetate,97%BROMOMETHANOLACETATEACETOXYMETHYLBROMIDEbromo-methanoacetatebromomethyl ethanoateBromomethyl Acetate >BroMoMethyl acetate 95%

MFCD00000170Bromomethyl Acetate (~90%)AKOS015841095EN300-7100335Acetyloxymethyl Bromide1-Bromomethanol 1-Acetatebromo-methyl acetate1-bromomethyl acetate

Database identifiers

CAS: 590-97-6
PubChem CID: 68536
DTXSID: DTXSID00883451
EC Number: 209-696-2
Nikkaji: J448K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 52.8

Physicochemical properties

Melting point: 139 · 139-140.5 °C
Boiling point: 130 · 130-133 °C/750 mmHg (lit.)
Density: 1.56 g/mL · 1.56 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.447(lit.)
RTECS: 6300200 · AF6300200
Flash point: 135 °F · 135 °F
storage temp.: 2 · 2-8°C
solubility: Miscible with chloroform.
form: Crystalline Powder or Powder
color: White to light beige
Sensitive: Moisture Sensitive
Stability: Hygroscopic, Moisture Sensitive, Volatile
InChI: InChI=1S/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3
InChIKey: NHYXMAKLBXBVEO-UHFFFAOYSA-N
SMILES: C(OC(=O)C)Br
CAS DataBase Reference: 590 · 590-97-6(CAS DataBase Reference)
EPA Substance Registry System: Methanol, bromo-, acetate (590-97-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-45
RIDADR: 3272 · UN 3272 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29153900 · 29153900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
hs_code: 29153900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36-45
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanol, 1-bromo-, 1-acetate: ACTIVE

Applications · 3 items

UsesBromomethyl acetate is involved in the preparation of optically active cyclohexene antisepsis agents. It acts as reagent in samarium diiodide-mediated conversion of ketones and aldehydes to 1,2-diacetates.

UsesHas cytotoxicity and mutagenicity effects.

General DescriptionThe interaction of bromomethyl acetate with O(6)-alkylguanine-DNA alkyltransferase (DNA repair protein) was studied in vitro.