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2,6-Dichlorostyrene

HCID 34254
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
28469-92-3
Standard SMILES
C=Cc1c(Cl)cccc1Cl
InChIKey
YJCVRMIJBXTMNR-UHFFFAOYSA-N
Molecular formula
C8H6Cl2
Average molar mass
173.04 g/mol
Monoisotopic mass
171.9846556

Names & identifiers

Preferred name
2,6-Dichlorostyrene
IUPAC
1,3-dichloro-2-ethenylbenzene
English name
2,6-Dichlorostyrene
Molecular formula
C8H6Cl2
Molecular weight
173.04

Names & synonyms

2,6-DICHLOROSTYRENE28469-92-3Benzene, 1,3-dichloro-2-ethenyl-NXL6EU26ULNSC-89716DTXSID7073141RefChem:83200DTXCID4037825249-039-71,3-Dichloro-2-vinylbenzene1,3-dichloro-2-ethenylbenzeneMFCD00000579
Show more names
2,6-DICHOROSTYRENEstyrene,2,6-dichloro-2,6-DICHLOROSTYRENE 98%2,6-Dichlorostyrene 2,6-DICHLOROVINYLBENZENEEthenyl-2,6-dichlorobenzol1-Vinyl-2,6-dichlorobenzene
EINECS 249-039-7UNII-NXL6EU26ULNSC 89716AKOS009156694CL-00562,6-dichlorstyrolNSC897161,3-dichlo

Database identifiers

CAS
28469-92-3
PubChem CID
34254
DTXSID
DTXSID7073141
UNII
NXL6EU26UL
EC Number
249-039-7
Nikkaji
J88.562B

Properties

Computed structural properties

XLogP
4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
112

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
89 °C · 89°C
Boiling point
88 · 88-90 °C/8 mmHg (lit.)
Density
1.267 g/mL · 1.267 g/mL at 25 °C (lit.)
refractive index
1.573 · 1.573-1.575
RTECS
4907000 · CZ4907000
Flash point
71 °C · 71 °C
storage temp.
2 · 2-8°C
form
liquid
Appearance
Colorless to light yellow Liquid
Water Solubility
Immiscible with water.
BRN
1931527 · 1931527
InChI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

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

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29039990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
37/39-26-24/25
Storage Class
10 - Combustible liquids
Hazard statements
H227-H315-H319-H335
Precautionary statements
P210e-P280a-P370+P378a-P403+P235-P501a-P261-P305+P351+P338-P405

Chemistry & industry

Applications

Uses2,6-Dichlorostyrene is used in the preparation of 1,3-dichloro-2-(1,2-dibromo-ethyl)-benzene by bromination reaction using bromine.

Related reactions

2 records
New reaction record
HRID 124328 reaction equation
HRID 124328As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2053387 reaction equation
HRID 2053387As reactantuspto-grants-2008_02

Compound notes

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InChIKey
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C1(Cl)=CC=CC(Cl)=C1C=C
CAS DataBase Reference
28469 · 28469-92-3(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
6 EU26UL · NXL6EU26UL
EPA Substance Registry System
2 · 2,6-Dichlorostyrene (28469-92-3)
UNSPSC Code
12162002 · 12162002
NACRES
23 · NA.23
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
227 · H227-H315-H319-H335
Precautionary statements
210 e-P280a-P370+P378a-P403+P235-P501a-P261-P305+P351+P338-P405 · P210e-P280a-P370+P378a-P403+P235-P501a-P261-P305+P351+P338-P405
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
37 · 37/39-26-24/25
WGK Germany
3 · 3
HS Code
29039990 · 29039990
Storage Class
10 · 10 - Combustible liquids