2-Chloroaniline - CP, ≥97% , CAS No.95-51-2

CAS: 95-51-2 Cat. No.: C103932 Molecular Weight: 127.57 Beilstein Registry Number: 12597 EC Number: 202-426-4

GRADE & PURITY CP, ≥97%

Synonyms

2-CHLOROANILINE | 2-CHLORO-ANILINE | 2-CHLOROANILINE- | CHLOROANILINE, O- | Fast Yellow GC Base | 2-Chloroaniline, >=99.5% (GC) | MLS002454424 | CAS-95-51-2 | Aniline, o-chloro- | (2-chlorophenyl)amine | (2-chlorophenyl)-amine | F2190-0428 | J-509009 | NC

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

2-CHLOROANILINE | 2-CHLORO-ANILINE | 2-CHLOROANILINE- | CHLOROANILINE, O- | Fast Yellow GC Base | 2-Chloroaniline, >=99.5% (GC) | MLS002454424 | CAS-95-51-2 | Aniline, o-chloro- | (2-chlorophenyl)amine | (2-chlorophenyl)-amine | F2190-0428 | J-509009 | NC

Specifications & Purity

CP, ≥97%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

CP

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751278
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751278
• Canonical Smiles: C1=CC=C(C(=C1)N)Cl
• IUPAC Name: 2-chloroaniline
• InChIKey: AKCRQHGQIJBRMN-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
• Isomeric SMILES: C1=CC=C(C(=C1)N)Cl
• WGK Germany: 2
• RTECS: BX0525000
• UN Number: 2019
• Packing Group: II
• Molecular Weight: 127.57
• Beilstein: 12597
• Reaxy-Rn: 606077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Refractive Index: 1.5895
• Flash Point(°C): 97℃
• Boil Point(°C): 209°C
• Melt Point(°C): 0-3°C
• Molecular Weight: 127.570 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.019 Da
• Monoisotopic Mass: 127.019 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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