CAS 14267-92-6 1-Pentyne, 5-chloro- (HCID 84308)

Names & identifiers

Preferred name: 1-Pentyne, 5-chloro-
IUPAC: 5-chloropent-1-yne
English name: 5-Chloro-1-pentyne
Molecular formula: C5H7Cl
Molecular weight: 102.56

Names & synonyms

5-Chloro-1-pentyne14267-92-61-Pentyne, 5-chloro-EINECS 238-159-5DTXSID3065742RefChem:76907DTXCID0034647UXFIKVWAAMKFQE-UHFFFAOYSA-N5-Chloropent-1-yne4-Pentynyl ChlorideC5H7ClMFCD00001014

Show more names

EOS-60333Chloro-1-pent5-chloro-1-pentyn5-chloro -1-pentyl1-Pentyne,5-chloro-

5-chloro-pent-1-yne5-chloropentyne1-chloro-4-pentine1-chloro-4-pentyneAKOS009156964CS-W009550?5-Chloro-1-pentyne5-Chloro-1-pentyne, 98%

Database identifiers

CAS: 14267-92-6
PubChem CID: 84308
DTXSID: DTXSID3065742
EC Number: 238-159-5
Nikkaji: J216.932K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 57.6

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -61 °C · -61°C (estimate)
Boiling point: 67 · 67-69 °C145 mm Hg(lit.)
Density: 0.968 g/mL · 0.968 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.444(lit.)
Flash point: 60 °F · 60 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform, Methanol (Slightly)
form: Liquid
Specific Gravity: 0.968 · 0.968
color: Clear colorless to light brown
Water Solubility: Not miscible in water.
BRN: 1736710 · 1736710
InChI: 1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2
InChIKey: UXFIKVWAAMKFQE-UHFFFAOYSA-N
SMILES: ClCCCC#C
CAS DataBase Reference: 14267 · 14267-92-6(CAS DataBase Reference)
NIST Chemistry Reference: 5 · 5-Chloro-1-pentyne(14267-92-6)
EPA Substance Registry System: 1 · 1-Pentyne, 5-chloro- (14267-92-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315
Precautionary statements: 210 · P210-P302+P352
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-38-36/37/38
Safety Statements: 23 · 23-24/25-16
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29032900 · 29032900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Skin · Flam. Liq. 2Skin Irrit. 2
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 47 reports by companies from 5 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

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29032900
risk_code: 11-38-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
hazard_note: Irritant
safety_code: 23-24/25-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H315
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: Flam. Liq. 2Skin Irrit. 2
Precautionary statements: P210-P302+P352

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Pentyne, 5-chloro-: ACTIVE

Applications

Uses5-Chloro-1-pentyne is used with α-diazoesters in a copper-catalyzed synthesis of pyrazoles. It is also used in the synthesis of 5-chloro-2-trimethylstannyl-1-pentene by reacting with Me3SnCu.Me2S.

Uses5-Chloro-1-pentyne was used in the synthesis of 5-chloro-2-trimethylstannyl-1-pentene by reacting with Me3SnCu.Me2S. It was also used with α-diazoesters in a copper-catalyzed synthesis of pyrazoles.