Ethyl bromopyruvate (HCID 66144)

Names & identifiers

Preferred name: Ethyl bromopyruvate
IUPAC: ethyl 3-bromo-2-oxopropanoate
English name: Ethyl bromopyruvate
Molecular formula: C5H7BrO3
Molecular weight: 195.01

Names & synonyms

Ethyl bromopyruvateEthyl 3-bromo-2-oxopropanoatePropanoic acid, 3-bromo-2-oxo-, ethyl esterethyl bromo pyruvateBromopyruvic acid ethyl esterEINECS 200-729-6NSC 62182DTXSID4058780RefChem:138889DTXCID8046612200-729-6VICYTAYPKBLQFB-UHFFFAOYSA-N

Show more names

3-bromo-2-oxo-propanoicaciethylesterBROMOPYRATEethylebromopyruvateBROMO ETHYL PYRUVATEETHYL BROMO PYROVATE3- broMoethyl pyruvateBromopyruvic acid ethyl

70-23-5Ethyl 3-bromopyruvateMFCD00000204beta-Bromopyruvic acid ethyl esterPyruvic acid, bromo-, ethyl esterVJ4Z94MM35.beta.-Bromopyruvic acid ethyl esterNSC-62182

Database identifiers

CAS: 70-23-5
PubChem CID: 66144
DTXSID: DTXSID4058780
ChEMBL: CHEMBL3185574
UNII: VJ4Z94MM35
EC Number: 200-729-6
Nikkaji: J3E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 121

Physicochemical properties

Boiling point: 98 · 98-100 °C10 mm Hg(lit.)
Density: 1.554 g/mL · 1.554 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.469(lit.)
Flash point: 210 °F · 210 °F
storage temp.: 2 · 2-8°C
solubility: Difficult to mix.
form: Liquid
color: Clear yellow to pink-red
Sensitive: Moisture Sensitive
BRN: 1760158 · 1760158
InChI: 1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
InChIKey: VICYTAYPKBLQFB-UHFFFAOYSA-N
SMILES: CCOC(=O)C(=O)CBr
LogP: 0.861 · 0.861 (est)
CAS DataBase Reference: 70 · 70-23-5(CAS DataBase Reference)
FDA UNII: 4 Z94MM35 · VJ4Z94MM35
NIST Chemistry Reference: 3 · Propanoic acid, 3-bromo-2-oxo-, ethyl ester(70-23-5)
EPA Substance Registry System: 3 · Propanoic acid, 3-bromo-2-oxo-, ethyl ester (70-23-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,T
Risk Statements: 36 · 36/37/38-33-23/24
Safety Statements: 26 · 26-36-24/25
RIDADR: 3265 · 3265
WGK Germany: 3 · 3
F: 8 · 8-9-21
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29183000 · 29183000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (17.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPropanoic acid, 3-bromo-2-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1C (17.6%)

Safety data

F: 8-9-21
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: 3265
hs_code: 29183000
risk_code: 36/37/38-33-23/24
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36-24/25
hazard_class: 8
Storage Class: 10 - Combustible liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoic acid, 3-bromo-2-oxo-, ethyl ester: ACTIVE

Applications

UsesEmployed in a synthesis of thioxothiazolidines from primary amines and carbon disulfide.1

UsesEthyl 3-bromopyruvate is employed in a synthesis of thioxothiazolidines from primary amines and carbon disulfide.

Upstream & downstream products

Upstream raw materials

Downstream products

4-(MORPHOLIN-4-YLMETHYL)-1,3-THIAZOL-2-AMINE 4-Thiazolemethanamine, 2-amino-N,N-dimethyl-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-4-CARBALDEHYDE TERT-BUTYL 4-(4-FORMYL-1,3-THIAZOL-2-YL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE 4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-CARBOXYLIC ACID 2-(3-PYRIDYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID 4-(chloromethyl)-2-thiazolamine Ethyl 2-methylthiazole-4-carboxylate 2-PHENYL-1,3-THIAZOLE-4-CARBALDEHYDE 2-PHENYL-1,3-THIAZOLE-4-CARBOHYDRAZIDE 2-Methyl-1,3-thiazole-4-carboxylic acid 4-Hydroxyindole

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

597 records

New reaction record

HRID 899As reactantuspto-grants-1998_03

HRID 5428As reactantuspto-grants-1993_09

HRID 14650As reactantuspto-grants-2010_06

HRID 14671As reactantuspto-grants-2010_06

HRID 17490As reactantuspto-grants-2010_06

HRID 25067As reactantuspto-grants-2005_02

HRID 30637As reactantuspto-grants-2008_09

HRID 37275As reactantuspto-grants-1995_05

Linked notes

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Basic information