Products for Research Use Only

5-Chloro-2-methoxybenzenamine

CAT: 0572-TRC-C950340-1GSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-C950340-1GSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
95-03-4
Synonyms
o-Anisidine, 5-chloro- (7CI,8CI); 5-Chloro-2-methoxybenzenamine; (5-Chloro-2-methoxyphenyl)amine; 1-Amino-5-chloro-2-methoxybenzene; 2-Amino-4-chloro-1-methoxybenzene; 2-Amino-4-chloroanisole; 2-Methoxy-5-chloroaniline; 4-Chloro-2-aminoanisole; 5-Chloro-2-methoxyaniline; 5-Chloro-o-anisidine; C.I. 37120, free base; NSC 6114; Tulabase Fast Red R; Tulabase Fast Red RC
Hazard Statement
Toxic if swallowed; UN number: UN2233; Packing Group: III
Purity
>95% (HPLC)
Smiles
COc1ccc(Cl)cc1N
Molecular Formula
C7 H8 Cl N O
Molecular Weight
157.6
InChI
InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
Additionnal Information
IUPAC name: 5-chloro-2-methoxyaniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Chloro-2-methoxyaniline

RN given refers to parent cpd; structure

CAS Number95-03-4
PubChem CID66763
IUPAC Name5-chloro-2-methoxyaniline
Molecular FormulaC7H8ClNO
Molecular Weight157.60
XLogP1.9
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
COC1=C(C=C(C=C1)Cl)N
InChI
InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKey
WBSMIPLNPSCJFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-methoxyaniline
CAS: 95-03-4
CID: 66763
Formula: C7H8ClNO
MW: 157.60
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight157.60
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass157.0294416
Monoisotopic Mass157.0294416
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes