CAS 15486-96-1 Propanoyl chloride, 3-bromo- (HCID 84944)

Names & identifiers

Preferred name: Propanoyl chloride, 3-bromo-
IUPAC: 3-bromopropanoyl chloride
English name: 3-Bromopropionyl chloride
Molecular formula: C3H4BrClO
Molecular weight: 171.42

Names & synonyms

3-Bromopropionyl chloride15486-96-13-Bromopropanoyl chloridePropanoyl chloride, 3-bromo-EINECS 239-515-2DTXSID3065900RefChem:869598DTXCID0034988239-515-2MFCD000007463-bromopropionic acid chloride3-Bromopropanoyl Chloride; 3-Bromopropanoic Acid Chloride; beta-Bromopropanoyl Chloride; ?-Bromopropanoyl Chloride; beta-Bromopropionyl Chloride

Show more names

3-BromopropionyL3-Bromopropionyl chl3-bromo-propanoylchloridb-Bromopropanoyl chlorideB-BROMOPROPIONYL CHLORIDE3-BromopropionylChloride>Propanoyl chloride, 3-bromo-

3-bromoproionylchloride3-bromopropanoylchloride3-Bromopropionylchloride3-bromo propionylchloride3-bromopropionic chloride3-bromopropionoyl chloride3-bromo-propanoyl chloride3-bromo-propionyl chloride

Database identifiers

CAS: 15486-96-1
PubChem CID: 84944
DTXSID: DTXSID3065900
EC Number: 239-515-2
Nikkaji: J317.936B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 54.8

Physicochemical properties

Boiling point: 55 · 55-57 °C/17 mmHg (lit.)
Density: 1.701 g/mL · 1.701 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.49(lit.)
Flash point: 175 °F · 175 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear yellow
Water Solubility: REACTS
Sensitive: Moisture Sensitive
InChI: InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
InChIKey: IHBVNSPHKMCPST-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCBr
CAS DataBase Reference: 15486 · 15486-96-1(CAS DataBase Reference)
EPA Substance Registry System: 3 · Propanoyl chloride, 3-bromo- (15486-96-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 23 · 23-26-27-36/37/39-45-25
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29159000 · 29159000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 BSTOT · Skin Corr. 1BSTOT SE 3
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

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

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: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 23-26-27-36/37/39-45-25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H335
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)
Hazard Classifications: Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoyl chloride, 3-bromo-: ACTIVE

Applications · 2 items

Uses3-Bromopropionyl chloride was used in the preparation of 1-chloro-4-bromo-2-butanone.

General Description3-Bromopropionyl chloride reacts with poly(ethylene glycol) methacrylate to yield brominated poly(ethylene glycol) methacrylate. It causes the acylation of 4-aryl-substituted 3,4-di-hydropyrimidine(1H)-2-thiones to give bicyclic pyrimido[2,1-b][1,3]thiazines.