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4-Bromo-1-(chloromethyl)-2-methylbenzene

HCID 20072358
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
24078-15-7
Standard SMILES
Cc1cc(Br)ccc1CCl
InChIKey
VSKUGNLAWMBJGY-UHFFFAOYSA-N
Molecular formula
C8H8BrCl
Average molar mass
219.5 g/mol
Monoisotopic mass
217.94979004

Names & identifiers

Preferred name
4-Bromo-1-(chloromethyl)-2-methylbenzene
IUPAC
4-bromo-1-(chloromethyl)-2-methylbenzene
English name
4-bromo-1-(chloromethyl)-2-methylbenzene
Molecular formula
C8H8BrCl
Molecular weight
219.51

Names & synonyms

4-bromo-1-(chloromethyl)-2-methylbenzene24078-15-7RefChem:97999970-241-2MFCD120250124-bromo-1-(chloromethyl)-2-methyl-benzene4-bromo-2-methylbenzyl chlorideSCHEMBL12053SCHEMBL29418547VSKUGNLAWMBJGY-UHFFFAOYSA-NDTXSID801275901ZAA07815
Show more names
EOS-60673
AB102224-Bromo-1-chloromethyl-2-methyl-benzeneDA-21358CS-0450041Benzene, 4-bromo-1-(chloromethyl)-2-methyl-EN300-127514

Database identifiers

CAS
24078-15-7
PubChem CID
20072358
DTXSID
DTXSID801275901
EC Number
970-241-2

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
105

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · 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.

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

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

Related reactions

16 records
New reaction record
HRID 533509 reaction equation
HRID 533509As productuspto-grants-2014_10
HRID 533510 reaction equation
HRID 533510As reactantuspto-grants-2014_10
HRID 693578 reaction equation
HRID 693578As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 931668 reaction equation
HRID 931668As productuspto-grants-2016_03
HRID 931669 reaction equation
HRID 931669As productuspto-grants-2016_03
HRID 931670 reaction equation
HRID 931670As reactantuspto-grants-2016_03
HRID 1442389 reaction equation
HRID 1442389As productuspto-grants-2010_02
HRID 1625931 reaction equation
HRID 1625931As productuspto-grants-2014_07
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Compound notes

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