6-Chloro-1-hexyne

HCID 272001

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Basic information

CAS: 10297-06-0
Standard SMILES: C#CCCCCCl
InChIKey: ZUKOCGMVJUXIJA-UHFFFAOYSA-N
Molecular formula: C6H9Cl
Average molar mass: 116.59 g/mol
Monoisotopic mass: 116.03927797

Names & identifiers

Preferred name: 6-Chloro-1-hexyne
IUPAC: 6-chlorohex-1-yne
English name: 6-CHLORO-1-HEXYNE
Molecular formula: C6H9Cl
Molecular weight: 116.59

Names & synonyms

6-Chloro-1-hexyne10297-06-0DTXSID00297453RefChem:541388DTXCID90248590629-470-06-chlorohex-1-yne5-Hexynyl ChlorideMFCD000136971-Hexyne, 6-chloro-5-Hexynechloride1-chloro-5-hexyne

Show more names

oro-1-hexyne6-chlorohexylyne1-Hexyne,6-chloro-6-CHLORO-1-HEXYNE 97%6-Chloro-1-hexyne,97%

NSC1160326-chloro-hex-1-yne6-Chloro-1-hexyne, 98%SCHEMBL223119orb3175470SCHEMBL1855695SCHEMBL18694725ZUKOCGMVJUXIJA-UHFFFAOYSA-

Database identifiers

CAS: 10297-06-0
PubChem CID: 272001
DTXSID: DTXSID00297453
EC Number: 629-470-0
Nikkaji: J29.179J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 67.5

Physicochemical properties

Boiling point: 83 °C95 · 83 °C95 mm Hg(lit.)
Density: 0.962 g/mL · 0.962 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.451(lit.)
Flash point: 99 °F · 99 °F
storage temp.: Flammables area
form: Liquid
Specific Gravity: 0.968 · 0.968
color: Clear yellow
InChI: 1S/C6H9Cl/c1-2-3-4-5-6-7/h1H,3-6H2
InChIKey: ZUKOCGMVJUXIJA-UHFFFAOYSA-N
SMILES: ClCCCCC#C
CAS DataBase Reference: 10297 · 10297-06-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-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: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29032990 · 29032990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.