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1-Chloro-4-(2-methyl-2-propen-1-yl)benzene

HCID 89985
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
23063-65-2
Standard SMILES
C=C(C)Cc1ccc(Cl)cc1
InChIKey
VLIILLUQCKLPLB-UHFFFAOYSA-N
Molecular formula
C10H11Cl
Average molar mass
166.65 g/mol
Monoisotopic mass
166.054928

Names & identifiers

Preferred name
1-Chloro-4-(2-methyl-2-propen-1-yl)benzene
IUPAC
1-chloro-4-(2-methylprop-2-enyl)benzene
English name
1-chloro-4-(2-methylallyl)benzene
Molecular formula
C10H11Cl
Molecular weight
166.65

Names & synonyms

23063-65-21-Chloro-4-(2-methylallyl)benzene2,2-Dimethyl-4-chlorostyrene1-Chloro-4-(2-methyl-2-propenyl)benzeneBenzene, 1-chloro-4-(2-methyl-2-propenyl)-XP4A3B6GMMDTXSID101776311-Chloro-4-(2-methyl-2-propen-1-yl)benzeneRefChem:1055254DTXCID70100122245-406-03-(4-chlorophenyl)-2-methyl-1-propene
Show more names
1-chloro-4-(2-methylprop-2-enyl)benzene1-chloro-4-(2-methylprop-2-en-1-yl)benzeneMFCD00045215Benzene, 1-chloro-4-(2-methyl-2-propen-1-yl)-4-(2-Methylprop-2-en-1-yl)chlorobenzeneBRN 1932701EINECS 245-406-04-Methallylchlorobenzene

Database identifiers

CAS
23063-65-2
PubChem CID
89985
DTXSID
DTXSID10177631
UNII
XP4A3B6GMM
EC Number
245-406-0
Nikkaji
J318.392K

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
132

Physicochemical properties

FDA UNII
4 A3B6GMM · XP4A3B6GMM
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H332-H335
Precautionary statements
261 · P261-P280-P305+P351+P338

Safety & regulation

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

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

2 records
New reaction record
HRID 185586 reaction equation
HRID 185586As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1388801 reaction equation
HRID 1388801As reactantuspto-grants-1984_02

Compound notes

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