CAS 563-76-8 Propanoyl bromide, 2-bromo- (HCID 79047)

Names & identifiers

Preferred name: Propanoyl bromide, 2-bromo-
IUPAC: 2-bromopropanoyl bromide
English name: 2-Bromopropionyl bromide
Molecular formula: C3H4Br2O
Molecular weight: 215.87

Names & synonyms

2-Bromopropionyl bromide563-76-8Propanoyl bromide, 2-bromo-EINECS 209-261-7DTXSID00862201RefChem:869592DTXCID50810999209-261-72-Bromopropanoyl bromideMFCD00000142.alpha.-Bromopropionyl bromideBR1124

Show more names

Zinc022425742-BromopropionyLBroMoacety BroMide2-Brompropionylbromid-Bromopropionylbromide2-bromo-propanoylbromid1,2-Dibromo-2-propanone2-Bromopropiomyl bromide2-bromo-Propanoylbromide

2-bromopropionylbromide2-bromo propionyl bromidealpha-Bromopropionyl bromide2-bromopropionic acid bromidea-bromopropionyl bromide2-bromo-propionyl bromidealpha-bromopropionylbromidealpha-Bromopropanyl bromide

Database identifiers

CAS: 563-76-8
PubChem CID: 79047
DTXSID: DTXSID00862201
UNII: Q73SM69APS
EC Number: 209-261-7
Nikkaji: J438C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 61

Physicochemical properties

Boiling point: 48 · 48-50 °C/10 mmHg (lit.)
Density: 2.061 g/mL · 2.061 g/mL at 25 °C (lit.)
vapor density: 7.5 · 7.5 (vs air)
vapor pressure: 1.3 mm · 1.3 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.518(lit.)
Flash point: 230 °F · >230 °F
solubility: Miscible with trichloromethane, diethyl ether, benzene and acetone.
form: clear liquid
Specific Gravity: 2.061 · 2.061
color: Colorless to Light yellow to Light orange
Sensitive: Moisture Sensitive
BRN: 1071331 · 1071331
Stability: Moisture Sensitive
InChI: 1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3
InChIKey: ILLHORFDXDLILE-UHFFFAOYSA-N
SMILES: CC(Br)C(Br)=O
LogP: 0.38 at · 0.38 at 25℃
CAS DataBase Reference: 563 · 563-76-8(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Bromopropionyl bromide(563-76-8)
EPA Substance Registry System: 2 · Propanoyl bromide, 2-bromo- (563-76-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314-H290
Precautionary statements: 501 · P501-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 22 · 22-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Propanoyl bromide, 2-bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17088

2-Bromopropionyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (92.3%)；Skin Corr. 1B (100%)

Regulatory information

Regulatory Information · 3 items

Chemical: Propanoyl bromide, 2-bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17088

2-Bromopropionyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H302-H314-H290
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P501-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoyl bromide, 2-bromo-: ACTIVE

Applications · 2 items

Uses2-Bromopropionyl bromide is used in the preparation of cellulose macroinitiator through direct acylation of cellulose in ionic liquid 1-allyl-3-methylimidazolium chloride. It is also used to prepare 3-(2-bromopropionyl)-2-oxazolidone derivatives and bromoester terminated poly(3-hexylthiophene). Further, it is used as a macroinitiator for atom transfer radical polymerization of acrylates.

Uses2-Bromopropionyl bromide has been used in the synthesis of:cellulose macroinitiator via direct acylation of cellulose in ionic liquid 1-allyl-3-methylimidazolium chloride3-(2-bromopropionyl)-2-oxazolidone derivativesbromoester terminated poly(3-hexylthiophene), used as macroinitiator for atom transfer radical polymerization of acrylates.