4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine structure
CAS 번호3680-69-1
분자식C6H4ClN3
분자량153.57 g/mol
외관White crystalline solid
녹는점186-189 °C
끓는점325.9 °C (760 mmHg, Predicted)
SMILESClc1ncnc2[nH]ccc12
InChIKeyBPTCCCTWWAUJRK-UHFFFAOYSA-N
제품 설명4-Chloro-7H-pyrrolo[2,3-d]pyrimidine, with 4-chloro as a nucleophilic aromatic substitution handle. Condenses with amines to construct pyrrolopyrimidine drugs; key intermediate for JAK inhibitors like tofacitinib.
용도Pharmaceutical intermediate; pyrrolopyrimidine; JAK inhibitor intermediate
위험물 등급Acute Tox. 3 (Oral); Skin Irrit. 2; Eye Irrit. 2; STOT SE 3 (Resp)
유해·위험 문구H301; H315; H319; H335
예방조치 문구P261; P264; P270; P271; P280; P301+P310+P330; P302+P352; P304+P340; P305+P351+P338; P321; P330; P332+P313; P337+P313; P362; P403+P233; P405; P501

계산/예측 물성

예상 밀도1.531 g/cm³ (예측값)