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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 8057Generated: October 23, 2026

1-Bromopentane

PENTYL BROMIDE · N-AMYL BROMIDE · 1-Pentyl bromide · n-C5H11Br · AMYL BROMIDE · 1-bromo-pentan · 1-Brompentan · 1-Brompentane

https://huagongshe.com/en/chemical/8057

1-Bromopentane molecular structure

Identifiers & Physical Properties

CAS No.110-53-2
Molecular formulaC5H11Br
Average molar mass151.04 g/mol
Monoisotopic mass150.00441245 g/mol
SMILESCCCCCBr
InChIKeyYZWKKMVJZFACSU-UHFFFAOYSA-N
PubChem CID8057
ChEMBLCHEMBL155850
EC No.203-776-0
DTXSIDDTXSID3049203

Chemical & Physical Properties

XLogP3.4
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds3
Heavy atoms6
Formal charge0
Complexity19.9
Chemical classesOther Classes -> Halogenated Aliphatics, SaturatedFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
LogP (partition coefficient)3.32
Vapor pressure12.6 [mmHg]
Physical DescriptionLiquid[Merck Index] Clear, light yellow liquid[Aldrich MSDS]
Melting point−95 °C(lit.)
Boiling point130 °C(lit.)
Density1.218 g/mL at 25 °C(lit.)
Vapor density>1 (vs air)
Refractive indexn20/D 1.444(lit.)
Flash point88 °F
Storage conditionsFlammables area
SolubilityH2O: insolublepractically insoluble
Physical stateLiquid
ColorClear colorless to light yellow
Thermal conductivity0.105 W/(m·K) at 25 ℃
Merck14,602
BRN1730981
Henry's law constant5.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant6.3(10℃)
StabilityStable. Flammable. Incompatible with strong oxidizing agents, strong bases.
InChI1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeyYZWKKMVJZFACSU-UHFFFAOYSA-N
SMILESCCCCCBr
CAS DataBase Reference110-53-2(CAS DataBase Reference)
FDA UNIIZ2S4R599P0
NIST Chemistry ReferencePentane, 1-bromo-(110-53-2)
EPA Substance Registry SystemPentane, 1-bromo- (110-53-2)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS02,GHS07
Signal wordWarning
GHS hazard statementsH315-H319-H226
GHS precautionary statementsP501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard symbolsXi,F,N,Xn
Risk statements (R)10-36/37/38-51/53-22
Safety statements (S)26-36-61-37/39-29-16
UN transport numberUN 1993 3/PG 3
Water hazard class (WGK)2
RTECS numberRZ9770000
Hazard NoteIrritant/Flammable
TSCA inventory statusTSCA listed
Hazard class3Aquatic Chronic 2Flam. Liq. 3Skin Irrit. 2
Packing groupIII
Customs code29033036
Storage class3 - Flammable liquids
ToxicityLD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76
REACH registrationsActive
Limited quantities5.0 L (1.3 gallons) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

GHS classificationWarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationChemical: Pentane, 1-bromo-Status: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/101951-Bromopentane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards summaryCauses other liver changes and effects on transaminases in oral toxic-dose studies of mice[RTECS] A skin, respiratory tract, and strong eye irritant[Aldrich MSDS] See 1-Bromopropane and 2-Bromopentane.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)Flammable agents - 3rd degree
Adverse effectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 47,600 mg/m3/2hr
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Water hazard class (WGK)2
TSCA inventory statusTSCA listed
RTECS numberRZ9770000
UN transport numberUN 1993 3/PG 3
Customs code29033036
ToxicityLD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76
Risk statements (R)10-36/37/38-51/53-22
Signal wordWarning
GHS pictogramGHS02,GHS07
Hazard symbolsXi,F,N,Xn
hazard_noteIrritant/Flammable
Safety statements (S)26-36-61-37/39-29-16
Hazard class3Aquatic Chronic 2Flam. Liq. 3Skin Irrit. 2
Storage class3 - Flammable liquids
Packing groupIII
GHS hazard statementsH315-H319-H226
Limited quantities5.0 L (1.3 gallons) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH registrationsActive
GHS precautionary statementsP501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Applications & Uses

Uses

1-Bromopentane is used in a multitude of organic synthesis. It is used in iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling.

Uses

1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α, γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase.

General Description

1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst.