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3,4-Dichlorostyrene

HCID 74869
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Basic information

CAS
2039-83-0
Standard SMILES
C=Cc1ccc(Cl)c(Cl)c1
InChIKey
BJQFWAQRPATHTR-UHFFFAOYSA-N
Molecular formula
C8H6Cl2
Average molar mass
173.04 g/mol
Monoisotopic mass
171.9846556

Names & identifiers

Preferred name
3,4-Dichlorostyrene
IUPAC
1,2-dichloro-4-ethenylbenzene
English name
3,4-Dichlorostyrene
Molecular formula
C8H6Cl2
Molecular weight
173.04

Names & synonyms

3,4-Dichlorostyrene2039-83-0Benzene, 1,2-dichloro-4-ethenyl-EINECS 218-023-1DTXSID00174331RefChem:91044DTXCID3096822218-023-1BJQFWAQRPATHTR-UHFFFAOYSA-N1,2-dichloro-4-ethenylbenzene1,2-Dichloro-4-vinylbenzene3,4-dichlorophenylethylene
Show more names
3,4-Dichlorostyrolstyrene,3,4-dichloro-3,4-Dichlorostyrolenebenzene,1,2-dichloro-4-ethenyl-3,4-Dichlorostyrene,95%,stabilized3,4-Dichlorostyrene, stabilized, 95%
3,4-dichloro-styreneMFCD00013625SCHEMBL148901,2-Dichloro-4-vinylbenzene #AKOS006283294EN300-17763234-DichlorostyreneSCHEMBL5255118

Database identifiers

CAS
2039-83-0
PubChem CID
74869
DTXSID
DTXSID00174331
EC Number
218-023-1
Nikkaji
J7.856E

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
122

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
48.5 °C · 48.5°C (estimate)
Boiling point
230.44 °C · 230.44°C (rough estimate)
Density
1.256 · 1.2560
refractive index
1.5857 · 1.5857 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338
HS Code
2902900000 · 2902900000

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]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code
2902900000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Methyltriphenylphosphonium bromide3,4-DichlorobenzaldehydeWaterPotassium carbonate1,4-Dioxane

Related reactions

4 records
New reaction record
HRID 430071 reaction equation
HRID 430071As reactantuspto-grants-2001_11
HRID 1086842 reaction equation
HRID 1086842As reactantuspto-grants-1991_07
HRID 1560336 reaction equation
HRID 1560336As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2351559 reaction equation
HRID 2351559As reactantuspto-grants-1989_10

Compound notes

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