CAS 598-22-1 Propionyl bromide (HCID 69018)

Names & identifiers

Preferred name: Propionyl bromide
IUPAC: propanoyl bromide
English name: Propionyl bromide
Molecular formula: C3H5BrO
Molecular weight: 136.98

Names & synonyms

Propionyl bromidePropanoyl bromide598-22-1Propanoyl-bromide-MFCD00000116BR1194PropionylbromideEINECS 209-924-0Propionyl bromide, 97%SCHEMBL35764SCHEMBL1726945SCHEMBL1726947

Show more names

1-Bromo-1-propanonePropionylBromide>Propionyl bromide 97%Propionyl bromide,95%Propanoic acid bromidePropionic acid bromidePropionyl bromide, 98%Propanoyl bromide (9CI)

RIBFXMJCUYXJDZ-UHFFFAOYSA-DTXSID80208527AKOS015839596AS-87530DB-344013NS00043797P0515D91967

Database identifiers

CAS: 598-22-1
PubChem CID: 69018
DTXSID: DTXSID80208527
EC Number: 209-924-0
Nikkaji: J134.406D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 42.2

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionClear dark brown liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 103 · 103-104 °C (lit.)
Density: 1.521 g/mL · 1.521 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.455(lit.)
Flash point: 126 °F · 126 °F
storage temp.: Flammables area
form: Tablets
color: Gray-bluish
BRN: 1736651 · 1736651
InChI: InChI=1S/C3H5BrO/c1-2-3(4)5/h2H2,1H3
InChIKey: RIBFXMJCUYXJDZ-UHFFFAOYSA-N
SMILES: C(Br)(=O)CC
CAS DataBase Reference: 598 · 598-22-1(CAS DataBase Reference)
NIST Chemistry Reference: Propionyl bromide(598-22-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-14-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2920 · UN 2920 8/PG 2
WGK Germany: 3 · 3
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29159000 · 29159000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Skin · Flam. Liq. 3Skin 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 · 4 items

Danger

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

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19572

Hazards SummaryReacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2920 8/PG 2
hs_code: 29159000
risk_code: 10-14-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H314-H226
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: Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405