Description

2-Amino-4-chlorobenzenethiol (CAS No. 1004-00-8) is a high-purity organic compound with the molecular formula C₆H₆ClNS. This aromatic thiol derivative features both an amino (-NH₂) and a chloro (-Cl) substituent on the benzene ring, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. Its molecular weight is 159.64 g/mol, and it is typically supplied as a crystalline solid with high stability under recommended storage conditions (2-8°C, inert atmosphere). Ideal for researchers in medicinal chemistry, this compound is commonly employed in the synthesis of heterocyclic compounds, ligands for metal coordination, and as a building block for bioactive molecules. Strict quality control ensures ≥95% purity (HPLC/GC), with batch-specific certificates of analysis available.

Properties

• CAS Number: 1004-00-8
• Complexity: 99.1
• IUPAC Name: 2-amino-4-chloro-benzenethiol
• InChI: InChI=1S/C6H6ClNS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
• InChI Key: NGIRMPARLVGMPX-UHFFFAOYSA-N
• Exact Mass: 158.9909481
• Molecular Formula: C6H6ClNS
• Molecular Weight: 159.64
• SMILES: C1=CC(=C(C=C1Cl)N)S
• Topological: 27
• Monoisotopic Mass: 158.9909481
• Synonyms: 2-Amino-4-chlorobenzenethiol, 1004-00-8, Benzenethiol, 2-amino-4-chloro-, DTXSID00143244, DTXCID4065735, 2-Amino-4-chlorothiophenol, 2-amino-4-chlorobenzene-1-thiol, 2-amino-4-chloro-benzenethiol, 2-Amino-4-chlorobenzenethiol (>85%), NSC6957, 5-Chloro-2-mercaptoaniline, 4-Chloro-2-aminothiophenol, MFCD00792528, 4-chloro-o-aminothiophenol, 2-Amino-4-chloro thiophenol, 4-Chloro-2-aminobenzenethiol, 5-Chloro-2-mercaptoaniline-, SCHEMBL485284, Aniline, 5-chloro-2-mercapto-, 2-azanyl-4-chloranyl-benzenethiol, STR07514, 2-Amino-4-chlorophenyl hydrosulfide, 2-Amino-4-chlorobenzenethiol, 96%, BBL100251, SBB066509, STL553820, AKOS000298976, CS-W016174, PS-3202, SB76303, AC-11158, DB-005932, A1625, ST50824758, EN300-21735, F10521, A800195, F8889-1244, Z108565176, 2-Amino-4-chlorothiophenol; 2-Amino-4-cholorobenzenethiol; 4-Chloro-2-aminothiophenol; 5-Chloro-2-mercaptoaniline;

Application

2-Amino-4-chlorobenzenethiol serves as a key intermediate in the synthesis of pharmaceutical agents, particularly in the development of antimicrobial and antitumor compounds. It is utilized in organic synthesis for the preparation of benzothiazole derivatives and as a chelating agent in coordination chemistry. Researchers also employ this compound in material science for the development of functionalized polymers and as a precursor for sulfur-containing specialty chemicals.

Safety and Hazards

GHS Hazard Statements

• H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (12.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (17%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (83%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (85.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (12.8%)
• Acute Tox. 4 (12.8%)
• Skin Corr. 1C (17%)
• Skin Irrit. 2 (83%)
• Eye Irrit. 2 (83%)
• Acute Tox. 4 (12.8%)
• STOT SE 3 (85.1%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.