1,5-Dichloropentane

HCID 12353

Notes Reactions

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Basic information

CAS: 628-76-2
Standard SMILES: ClCCCCCCl
InChIKey: LBKDGROORAKTLC-UHFFFAOYSA-N
Molecular formula: C5H10Cl2
Average molar mass: 141.04 g/mol
Monoisotopic mass: 140.01595568

Names & identifiers

Preferred name: 1,5-Dichloropentane
IUPAC: 1,5-dichloropentane
English name: 1,5-Dichloropentane
Molecular formula: C5H10Cl2
Molecular weight: 141.04

Names & synonyms

1,5-DICHLOROPENTANE628-76-2Pentamethylene chloridePentane, 1,5-dichloro-Pentamethylene dichlorideAmylene chlorideNSC 6210EINECS 211-053-6UNII-6N4A5V83WEBRN 17323406N4A5V83WEAI3-16489

Show more names

1,5-DichL1,5-Dichlorpentan1,5-Dichlorobutane1,5-dichloro-pentan1，5-Diehloropentanepentane,1,5-dichloro-1,5-Dichloropentane,99%1,5-Dichloropentane,98%

NSC-6210DTXSID20220944-01-00-00310 (Beilstein Handbook Reference)Pentane, 1,5dichloroRefChem:73467DTXCID502094UN1152211-053-6

Database identifiers

CAS: 628-76-2
PubChem CID: 12353
DTXSID: DTXSID2022094
UNII: 6N4A5V83WE
EC Number: 211-053-6
Nikkaji: J6.882I

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 25.3

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Vapor Pressure1.13 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 72 °C · −72 °C(lit.)
Boiling point: 63 · 63-66 °C10 mm Hg(lit.)
Density: 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
vapor pressure: 1.5 hPa · 1.5 hPa (25 °C)
refractive index: 20 · n20/D 1.457(lit.)
Flash point: 80 °F · 80 °F
storage temp.: Flammables area
solubility: 0.125 g/l · 0.125g/l
form: clear liquid
color: Colorless to Almost colorless
Water Solubility: insoluble
BRN: 1732340 · 1732340
Henry's Law Constant: 1 · 1.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant: 9.92 · 9.9199999999999999
InChI: 1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2
InChIKey: LBKDGROORAKTLC-UHFFFAOYSA-N
SMILES: ClCCCCCCl
CAS DataBase Reference: 628 · 628-76-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 6 N4A5V83WE · 6N4A5V83WE
NIST Chemistry Reference: 1 · 1,5-Dichloropentane(628-76-2)
EPA Substance Registry System: 1 · Pentane, 1,5-dichloro- (628-76-2)
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H412-H226
Precautionary statements: 501 · P501-P273-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
target organs: Respiratory system
Hazard Codes: T,Xi
Risk Statements: 10 · 10-25-36/37/38
Safety Statements: 26 · 26-45-24/25-16
RIDADR: 1152 · UN 1152 3/PG 3
WGK Germany: 2 · 2
RTECS: 350000 · SA0350000
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29031990 · 29031990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

Hazard information

Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See 1,3-Dichloropropane and 1,4-Dichlorobutane.

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

Safety data

wgk: 2
tsca: TSCA listed
rtecs: SA0350000
ridadr: UN 1152 3/PG 3
hs_code: 29031990
risk_code: 10-25-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: T,Xi
safety_code: 26-45-24/25-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H412-H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P501-P273-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235