5-Bromopentyl acetate

HCID 85140

Notes Reactions

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Basic information

CAS: 15848-22-3
Standard SMILES: CC(=O)OCCCCCBr
InChIKey: JIHJLQWUVZUKCH-UHFFFAOYSA-N
Molecular formula: C7H13BrO2
Average molar mass: 209.08 g/mol
Monoisotopic mass: 208.00989176

Names & identifiers

Preferred name: 5-Bromopentyl acetate
IUPAC: 5-bromopentyl acetate
English name: 5-BROMOPENTYL ACETATE
Molecular formula: C7H13BrO2
Molecular weight: 209.08

Names & synonyms

5-Bromopentyl acetate15848-22-3DTXSID80166431EINECS 239-961-8RefChem:534084DTXCID9088922239-961-85-Bromoamyl acetate5-Bromo-n-amyl acetate1-Pentanol, 5-bromo-, 1-acetateMFCD000392045-?Bromopentyl Acetate

Show more names

5-Bromoamyl acetate,98%5-BromopentylAcetate>5-ACETOXY-1-BROMOPENTANE5-broMo-1-pentanol acetate5-bromo-1-pentanyl acetate1-Pentanol, 5-bromo-, acetate

5-Bromopentyl acetate, 96%Acetic Acid 5-Bromoamyl EsterAKOS015916745AS-60470CS-0006787Acetic Acid 5-Bromopentyl Ester1-Acetoxy-5-bromopentaneFT-0620171

Database identifiers

CAS: 15848-22-3
PubChem CID: 85140
DTXSID: DTXSID80166431
EC Number: 239-961-8
Nikkaji: J219.858D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 93.6

Physicochemical properties

Boiling point: 109 · 109-110 °C15 mm Hg(lit.)
Density: 1.255 g/mL · 1.255 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.462(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: Slightly soluble in water.
BRN: 1752109 · 1752109
InChI: 1S/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChIKey: JIHJLQWUVZUKCH-UHFFFAOYSA-N
SMILES: CC(=O)OCCCCCBr
CAS DataBase Reference: 15848 · 15848-22-3(CAS DataBase Reference)
NIST Chemistry Reference: 5 · 5-Bromo-n-amyl acetate(15848-22-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: Eyeshields, Gloves
Safety Statements: 24 · 24/25-22
WGK Germany: 3 · 3
HS Code: 29153900 · 29153900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29153900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25-22
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses5-Bromopentyl Acetate is used to model the toxicity of haloesters on marine bacterium such as Vibrio fischeri. It is used to produce 5-Bromo-pentan-1-ol, a raw material for chemical synthesis.