CAS 112889-44-8 Ethyl 2-bromovalerate (HCID 79071)

Names & identifiers

Preferred name: Ethyl 2-bromovalerate
IUPAC: ethyl 2-bromopentanoate
English name: Ethyl 2-bromovalerate
Molecular formula: C7H13BrO2
Molecular weight: 209.08

Names & synonyms

Ethyl 2-bromovalerate615-83-8Ethyl .alpha.-bromovaleratePentanoic acid, 2-bromo-, ethyl ester112889-44-8Ethyl alpha-bromovalerateEINECS 210-450-1Ethanol, 2-bromopentanoateDTXSID40275770NSC 8865RefChem:138580DTXCID40227153

Show more names

2-bromovaL2-Ethyl bromoateEthyl2-Bromovalerate>DL-ETHYL 2-BROMOVALERATEEthyl2-bromovalerate,97%Ethyl 2-broMovalerate, 98%+Ethanol, 2-bromo, pentanoate

210-450-1ORSIRXYHFPHWTN-UHFFFAOYSA-NEthyl 2-bromopentanoateDL-Ethyl 2-Bromovalerate2-Bromovaleric Acid Ethyl EsterMFCD000001592-bromo-pentanoic acid ethyl esterETHYL-2-BROMOVALERATE

Database identifiers

CAS: 112889-44-8、615-83-8
PubChem CID: 79071
DTXSID: DTXSID10862292
EC Number: 210-450-1
Nikkaji: J134.747K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 190 · 190-192 °C(lit.)
Density: 1.226 g/mL · 1.226 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.448(lit.)
Flash point: 171 °F · 171 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Liquid
Specific Gravity: 1.22 · 1.22
color: Clear colorless
Water Solubility: insoluble
BRN: 1098901 · 1098901
InChI: InChI=1S/C7H13BrO2/c1-3-5-6(8)7(9)10-4-2/h6H,3-5H2,1-2H3
InChIKey: ORSIRXYHFPHWTN-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Br)CCC
CAS DataBase Reference: 615 · 615-83-8(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Ethyl 2-bromovalerate(615-83-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 227 · H227-H290-H314-H335-H318
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310-P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501-P210e-P260h-P303+P361+P353-P501a
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37-36/37/38
Safety Statements: 23 · 23-26-27-36/37/39-45-24/25
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29159080 · 29159080
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Pentanoic acid, 2-bromo-, ethyl ester

Ethyl 2-bromovalerate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29159080
risk_code: 34-36/37-36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: C,Xi
safety_code: 23-26-27-36/37/39-45-24/25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H227-H290-H314-H335-H318
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P280-P305+P351+P338-P310-P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501-P210e-P260h-P303+P361+P353-P501a