CAS 615-96-3 Ethyl 2-bromohexanoate (HCID 79072)

Names & identifiers

Preferred name: Ethyl 2-bromohexanoate
IUPAC: ethyl 2-bromohexanoate
English name: Ethyl 2-bromohexanoate
Molecular formula: C8H15BrO2
Molecular weight: 223.11

Names & synonyms

Ethyl 2-bromohexanoateEthyl 2-bromocaproateHexanoic acid, 2-bromo-, ethyl ester2-Bromohexanoic acid ethyl esterEthyl alpha-bromocaproateEthyl .alpha.-bromocaproatealpha-Bromocaproic acid, ethyl esterUNII-3Y8V12H8PL.alpha.-Bromocaproic acid, ethyl ester3Y8V12H8PLNSC 8879NSC-8879

Show more names

Nsc8879Wln: 4yevo2ETHYL A-BROMOCAPROATEEthyl 2-bromocapronate2- broMoethyl caproate2-Bromohexanoic acid ethylEthyl 2-bromohexanoate 99%

EINECS 210-455-9KOUAQOCYMAENKN-UHFFFAOYSA-DL-ETHYL 2-BROMOHEXANOATEDTXSID30883242.ALPHA.-BROMO-N-CAPROIC ACID ETHYL ESTER [MI]RefChem:138576DTXCID101022789ETHYL 2-BROMOHEXANOATE, (+-)-

Database identifiers

CAS: 615-96-3
PubChem CID: 79072
DTXSID: DTXSID30883242
UNII: 3Y8V12H8PL
EC Number: 210-455-9
Nikkaji: J49.408I

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 115

Physicochemical properties

Melting point: 214 °C · 214°C
Boiling point: 213 · 213-215 °C (lit.)
Density: 1.221 g/mL · 1.221 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.45(lit.)
Flash point: 204 °F · 204 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3
InChIKey: KOUAQOCYMAENKN-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Br)CCCC
CAS DataBase Reference: 615 · 615-96-3(CAS DataBase Reference)
FDA UNII: 3 Y8V12H8PL · 3Y8V12H8PL
NIST Chemistry Reference: 2 · Hexanoic acid, 2-bromo-, ethyl ester(615-96-3)
EPA Substance Registry System: 2 · Hexanoic acid, 2-bromo-, ethyl ester (615-96-3)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 22 · 22-34-36/37/38
Safety Statements: 26 · 26-36/37/39-36
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: 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (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: 22-34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
safety_code: 26-36/37/39-36
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H302-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)
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexanoic acid, 2-bromo-, ethyl ester: INACTIVE

Applications

UsesEthyl 2-bromohexanoate has been used in the preparation of:ethyl 2,2-dibromohexanoate2-mercaptohexanoic acid derivativeschloroquinoxaline N-oxide