4-Bromo-2-methylaniline

CAT: 0127-OR21308-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR21308-01Size:25 g

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CAS Number

583-75-5

Synonyms

2-Amino-5-bromotoluene, 4-Bromo-o-toludine

MDL Number

MFCD00007825

Purity

=95%

Smiles

Cc1cc(Br)ccc1N

Storage Conditions

Store at 2-8°C

Chemical Information

4-Bromo-2-methylaniline

CAS Number	583-75-5
PubChem CID	11423
IUPAC Name	4-bromo-2-methylaniline
Molecular Formula	C7H8BrN
Molecular Weight	186.05
XLogP	1.9
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CC1=C(C=CC(=C1)Br)N

InChI

InChI=1S/C7H8BrN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3

InChIKey

PCHYYOCUCGCSBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 583-75-5

CID: 11423

Formula: C7H8BrN

MW: 186.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.05
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	184.98401
Monoisotopic Mass	184.98401
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1073-01	2-Bromo-4-methylaniline
OR4327	2-Bromo-4-methylaniline hydrochloride
OR931639-01	4-Bromo-N-methylaniline
OR1075030-01	3-Bromo-4-chloro-2-methylaniline
OR1072521-01	2-Bromo-4-methoxy-6-methylaniline
OR1096867-01	5-bromo-4-iodo-2-methylaniline
OR1089737-01	4-Bromo-2-isopropoxy-6-methylaniline
OR1069500-01	4-Bromo-2-chloro-N-methylaniline
PC7405-01	2-Bromo-5-fluoro-4-methylaniline
PC500340-01	2-Bromo-4-fluoro-3-methylaniline

Catalog	Name
TRC-B808293-10G	2-Bromo-4-methylaniline
264062-01	4-Bromo-2-methylaniline
sc-267298	4-Bromo-2-methylaniline hydrochloride
B22240-01	2-Bromo-4-methylaniline 99%
B22248-01	4-Bromo-2-Methylaniline 99%
TRC-B685100-1G	3-Bromo-4-methylaniline
431196-01	4-Bromo-N-methylaniline
sc-232478	4-Bromo-3-methylaniline
FB67813-01	4-Bromo-5-fluoro-2-methylaniline
IHB13398-01	5-Bromo-2-methoxy-4-methylaniline