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2-Bromo-n-(4-chlorophenyl)acetamide

HCID 219322
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
5343-64-6
Standard SMILES
O=C(CBr)Nc1ccc(Cl)cc1
InChIKey
YSTUPBOIUOUMHG-UHFFFAOYSA-N
Molecular formula
C8H7BrClNO
Average molar mass
248.5 g/mol
Monoisotopic mass
246.93995

Names & identifiers

Preferred name
2-Bromo-n-(4-chlorophenyl)acetamide
IUPAC
2-bromo-N-(4-chlorophenyl)acetamide
English name
2-BROMO-N-(4-CHLOROPHENYL)ACETAMIDE
Molecular formula
C8H7BrClNO
Molecular weight
248.5

Names & synonyms

2-bromo-n-(4-chlorophenyl)acetamide5343-64-62-Bromo-N-(4-chloro-phenyl)-acetamideMFCD02089951Acetamide, 2-bromo-N-(4-chlorophenyl)-NSC481SCHEMBL243932DTXSID90968100NSC-481YSTUPBOIUOUMHG-UHFFFAOYSA-NALBB-0105542-BROMO-4'-CHLOROACETANILIDE
Show more names
N-(Bromoacetyl)-4-chloroaniline2-bromo-N-(4-chlorophenyl)ethanamide
AKOS005172687SB77123LS-03575CS-0453345H25726F070324

Database identifiers

CAS
5343-64-6
PubChem CID
219322
DTXSID
DTXSID90968100
Nikkaji
J3.043.001H

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
157

Physicochemical properties

Symbol(GHS)
6 · GHS06,GHS08
Signal word
Danger
Hazard statements
301 · H301-H311-H331-H341
Precautionary statements
201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Hazard Codes
Xi
HazardClass
IRRITANT
HS Code
2924190090 · 2924190090

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

hs_code
2924190090
Signal word
Danger
Symbol(GHS)
GHS06,GHS08
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H301-H311-H331-H341
Precautionary statements
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501

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Related reactions

8 records
New reaction record
HRID 18508 reaction equation
HRID 18508As productuspto-grants-2010_06
HRID 33246 reaction equation
HRID 33246As reactantuspto-grants-2008_09
HRID 560750 reaction equation
HRID 560750As reactantuspto-grants-2011_11
HRID 604420 reaction equation
HRID 604420As reactantuspto-grants-2011_03
HRID 954738 reaction equation
HRID 954738As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1071689 reaction equation
HRID 1071689As productuspto-grants-2005_06
HRID 2067524 reaction equation
HRID 2067524As reactantuspto-grants-2012_10
HRID 2343406 reaction equation
HRID 2343406As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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