CAS 873-31-4 1-Chloro-2-ethynylbenzene (HCID 585995)

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Basic information

CAS: 873-31-4
Standard SMILES: C#Cc1ccccc1Cl
InChIKey: DGLHLIWXYSGYBI-UHFFFAOYSA-N
Molecular formula: C8H5Cl
Average molar mass: 136.58 g/mol
Monoisotopic mass: 136.00797784

Names & identifiers

Preferred name: 1-Chloro-2-ethynylbenzene
IUPAC: 1-chloro-2-ethynylbenzene
English name: 1-CHLORO-2-ETHYNYLBENZENE
Molecular formula: C8H5Cl
Molecular weight: 136.58

Names & synonyms

1-Chloro-2-ethynylbenzene873-31-4DTXSID40342931RefChem:431213DTXCID30294011628-265-32-Chlorophenylacetylene2'-Chlorophenyl acetylene1-chloro-2-ethynyl-benzeneMFCD00269951Benzene, 1-chloro-2-ethynyl-(2-Chlorophenyl)acetylene

Show more names

2-Chlorophenylacetylene 98%1-Chloro-2-ethynylbenzene >1-Chloro-2-ethynylbenzene 98%Benzene, 1-chloro-2-ethynyl- (7CI, 8CI, 9CI)1-CHLORO-2-ETHYNYLBENZENE ISO 9001：2015 REACH

o-chlorphenylacetylen2-chlorophenyl acetyleneC2750Z1080385584(2-Chlorophenyl)ethyne2'-Chlorophenylacetylene1-Chloro-2-ethynyl-benzene; (2-Chlorophenyl)ethyne;o-chlorophenylacetylene

Database identifiers

CAS: 873-31-4
PubChem CID: 585995
DTXSID: DTXSID40342931
EC Number: 628-265-3
Nikkaji: J654.153D

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 131

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point: 64 · 64-65/15mm
Density: 1.125 g/mL · 1.125 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5710(lit.)
Flash point: 70 °C · 70 °C
storage temp.: 2 · 2-8°C
solubility: Soluble in hexane.
form: Liquid
color: Clear colorless to yellow
Stability: Moisture, Light Sensitive
InChI: 1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChIKey: DGLHLIWXYSGYBI-UHFFFAOYSA-N
SMILES: Clc1ccccc1C#C
CAS DataBase Reference: 873 · 873-31-4(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.