CAS 1809-10-5 3-Bromopentane (HCID 15738)

Names & identifiers

Preferred name: 3-Bromopentane
IUPAC: 3-bromopentane
English name: 3-Bromopentane
Molecular formula: C5H11Br
Molecular weight: 151.04

Names & synonyms

3-BROMOPENTANEPentane, 3-bromo-3-Pentyl bromideEINECS 217-314-0DTXSID2061987RefChem:93252DTXCID0035740217-314-0InChI=1/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2HVTOQFOCYBTVOJZ-UHFFFAOYSA-N1809-10-5MFCD00000158

Show more names

DK612DKSI1683-broMideDKFELEX01523-Pentylbromid3-bromo-pentanpentane,3-bromo-3-Bromopentane,97%

3-bromo-pentane3-Pentyl Bromide;3-pentylbromide3-Bromopentane, 95%SCHEMBL82623SCHEMBL82624SCHEMBL1417603SCHEMBL7863991

Database identifiers

CAS: 1809-10-5
PubChem CID: 15738
DTXSID: DTXSID2061987
EC Number: 217-314-0
Nikkaji: J97.466H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 23.1

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -126.2 °C · -126.2°C
Boiling point: 118 · 118-119 °C (lit.)
Density: 1.216 g/mL · 1.216 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.445(lit.)
Flash point: 65 °F · 65 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Miscible with ethanol, ether, benzene and chloroform.
form: Liquid
color: Clear pale yellow
BRN: 1730967 · 1730967
Dielectric constant: 8.37 · 8.3699999999999992
InChI: InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChIKey: VTOQFOCYBTVOJZ-UHFFFAOYSA-N
SMILES: CCC(Br)CC
CAS DataBase Reference: 1809 · 1809-10-5(CAS DataBase Reference)
EPA Substance Registry System: 3 · Pentane, 3-bromo- (1809-10-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-36
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
F: 19 · 19
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29033990 · 29033990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

F: 19
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29033990
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPentane, 3-bromo-: ACTIVE

Applications

Uses3-Bromopentane is a glass forming liquid used in the preparation of 2-(1-ethyl-propoxy)-isoindole-1,3-dione. Further, it is employed in organic synthesis.

General Description3-Bromopentane is a glass forming liquid. The dielectric relaxation of 3-bromopentane was studied.

Preparation methods · 1 item

PreparationIsomerically pure 3-bromopentane could be prepared from tri-1-ethylpropyl phosphite and hydrogen bromide and solvolysed in 60% aqueous ethanol. The detection of about 1% rearrangement products in both acid and weakly alkaline conditions supports the view that carbonium ion intermediates are formed in the reaction of at least a proportion of the molecules[1].