Basic information
- CAS
7148-74-5- Standard SMILES
CC(Br)C(=O)Cl- InChIKey
OZGMODDEIHYPRY-UHFFFAOYSA-N- Molecular formula
- C3H4BrClO
- Average molar mass
- 171.42 g/mol
- Monoisotopic mass
- 169.91340453
Names & identifiers
- Preferred name
- 2-Bromopropanoyl chloride
- IUPAC
- 2-bromopropanoyl chloride
- English name
- 2-Bromopropionyl chloride
- Molecular formula
- C3H4BrClO
- Molecular weight
- 171.42
Names & synonyms
2-Bromopropionyl chloride7148-74-52-Bromopropanoyl chlorideEINECS 230-466-2OZGMODDEIHYPRY-UHFFFAOYSA-DTXSID70871183NSC 64455RefChem:467301DTXCID50818854230-466-2InChI=1/C3H4BrClO/c1-2(4)3(5)6/h2H,1H32-Bromopropionylchloride
Show more names
2-Bromopropionic acid chlorideA-BROMOPROPIONYL CHLORIDE2-BROMINEPROPIONYLCHLORIDE2-BromopropionylChloride>Propanoyl chloride, 2-bromo-2-Bromopropionyl chloride,98%2-Bromopropanoic acid chloride
Propanoyl chloride, 2-bromo-alpha-Bromopropionyl chlorideMFCD00000711.alpha.-Bromopropionyl chloride2-bromo-propionyl chloridealpha-bromopropionic acid chlorideNSC-64455(S)-2-Bromopropionyl chloride
Database identifiers
- CAS
7148-74-5- PubChem CID
- 97980
- DTXSID
DTXSID70871183- UNII
- 4B3KQP77SN
- EC Number
- 230-466-2
- Nikkaji
- J37.297H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 63.8
Physicochemical properties
- Boiling point
- 131 · 131-133 °C (lit.)
- Density
- 1.7 g/mL · 1.7 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.477(lit.)
- Flash point
- 125 °F · 125 °F
- storage temp.
- Store at RT.
- form
- Liquid
- color
- Clear yellow
- Water Solubility
- REACTS
- BRN
- 773800 · 773800
- InChI
- InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
- InChIKey
- OZGMODDEIHYPRY-UHFFFAOYSA-N
- SMILES
- C(Cl)(=O)C(Br)C
- CAS DataBase Reference
- 7148 · 7148-74-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Bromopropionyl chloride(7148-74-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H318-H226-H314-H335
- Precautionary statements
- 210 · P210-P233-P234-P240-P241+P242+P243-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501-P261-P280-P305+P351+P338-P310-P260h-P303+P361+P353-P501a
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 10 · 10-34-36/37
- Safety Statements
- 16 · 16-26-27-36/37/39-45-25
- RIDADR
- 2920 · UN 2920 8/PG 2
- WGK Germany
- 3 · 3
- F
- 9 · 9-21
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29159000 · 29159000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
- REACH Registrations
- Active
- 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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 10-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23669
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 9-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29159000
- risk_code
- 10-34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-27-36/37/39-45-25
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H290-H318-H226-H314-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)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P210-P233-P234-P240-P241+P242+P243-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501-P261-P280-P305+P351+P338-P310-P260h-P303+P361+P353-P501a
Chemistry & industry
Applications
Uses2-Bromopropionyl chloride is a reagent that is used in the preparation of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1.
Uses2-Bromopropionyl chloride was used to synthesize cellulose macroinitiator for homogeneous atom transfer radical polymerization. It was used in the synthesis of 2-aminopropionyl polystyrene resin by Friedel Crafts reaction.
Upstream & downstream products
Downstream products
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Related reactions
134 records
Compound notes
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