Basic information
- Standard SMILES
CCOC(=O)C(C)Br- InChIKey
ARFLASKVLJTEJD-UHFFFAOYSA-N- Molecular formula
- C5H9BrO2
- Average molar mass
- 181.03 g/mol
- Monoisotopic mass
- 179.97859
Names & identifiers
- Preferred name
- Ethyl 2-bromopropionate
- IUPAC
- ethyl 2-bromopropanoate
- English name
- Ethyl 2-bromopropionate
- Molecular formula
- C5H9BrO2
- Molecular weight
- 181.03
Names & synonyms
Ethyl 2-bromopropionate535-11-5Ethyl 2-bromopropanoateEthyl alpha-bromopropionatePropanoic acid, 2-bromo-, ethyl esterEthyl-2-bromopropionate2-Bromopropanoic acid ethyl ester2-Bromopropionic Acid Ethyl Esteralpha-Bromopropionic acid ethyl esterMFCD00000144NSC 675341978-69-2
Show more names
DL-ETHYL 2-BROMOPROPIONATEEthyl 2-broMopropionEthyl-bromopropanoateEthyl 2-bromopropioteEthyl a-bromopropionateFlurbiprofen impurity ⅡSacubitril Impurity 1122-Bromopropionate ethyl
Ethyl .alpha.-bromopropanoateEthyl .alpha.-bromopropionate2-Bromopropanoic acid, ethyl esterEthyl dl-2-bromopropionatePropionic acid, 2-bromo-, ethyl esterCDA70611LZNSC-6753.alpha.-Bromopropionic acid ethyl ester
Database identifiers
- CAS
41978-69-2、535-11-5- PubChem CID
- 79040
- DTXSID
DTXSID90871746- UNII
- CDA70611LZ
- EC Number
- 208-609-5、255-601-2
- Nikkaji
- J60.782G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82
Experimental & physicochemical properties
Physical DescriptionLiquid with a sharp pungent odor; Yellows on light exposure; [Merck Index] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
906；909；907
931
1327；1340
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 156 · 156-160 °C (lit.)
- Density
- 1.394 g/mL · 1.394 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.446(lit.)
- Flash point
- 125 °F · 125 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless to very slightly yellow
- Water Solubility
- Immiscible
- Merck
- 14 · 14,3772
- BRN
- 773920 · 773920
- Dielectric constant
- 9.3 · 9.3000000000000007
- Stability
- Corrosive
- InChI
- 1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
- InChIKey
- ARFLASKVLJTEJD-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(C)Br
- CAS DataBase Reference
- 535 · 535-11-5(CAS DataBase Reference)
- FDA UNII
- 70611 LZ · CDA70611LZ
- NIST Chemistry Reference
- 2 · Propanoic acid, 2-bromo-, ethyl ester(535-11-5)
- EPA Substance Registry System
- 2 · Propanoic acid, 2-bromo-, ethyl ester (535-11-5)
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,Xn
- Risk Statements
- 10 · 10-34-36/37/38-20/22
- Safety Statements
- 16 · 16-26-36/37/39-45-37/39
- RIDADR
- 2920 · UN 2920 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 2451730 · UA2451730
- F
- 8 · 8-19
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29159080 · 29159080
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Skin · Flam. Liq. 3Skin Corr. 1B
- Toxicity
- 50 orally · LD50 orally in Rabbit: 281 mg/kg
- 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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (69.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 8 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
Chemical: Propanoic acid, 2-bromo-, ethyl ester
Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23965
Ethyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Methyl dichloroacetate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (10.6%)；Skin Corr. 1B (69.7%)；Skin Irrit. 2 (13.6%)；STOT SE 3 (12.1%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Regulatory information
Regulatory Information
Chemical: Propanoic acid, 2-bromo-, ethyl ester
Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23965
Ethyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 8-19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA2451730
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29159080
- Toxicity
- LD50 orally in Rabbit: 281 mg/kg
- risk_code
- 10-34-36/37/38-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,Xn
- safety_code
- 16-26-36/37/39-45-37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H314
- 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
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-bromo-, ethyl ester: ACTIVE
Applications
UsesEthyl 2-Bromopropionate is an intermediate in the synthesis of organic compounds and pharmaceuticals.
UsesIts an important organic intermediate can be used in agrochemical, pharmaceutical synthesis and dyestuff field.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
581 records
Linked notes
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