Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Chloro-p-toluidine
oro-4-methyL · 2-Chlor-4-toluidin · 2-chloro-p-toluidin · 2-chlor-4-toluidine · 2-CHLORO-4-TOLUIDINE · 2-CHLORO-P-TOLUIDINE · 2-Chloro-4-methylani · p-Toluidine, 2-chloro-
식별자 및 물리적 특성
| CAS No. | 615-65-6 |
|---|---|
| 분자식 | C7H8ClN |
| 평균 분자량 | 141.6 g/mol |
| 단동위원소 질량 | 141.03452694 g/mol |
| SMILES | Cc1ccc(N)c(Cl)c1 |
| InChIKey | XGYLSRFSXKAYCR-UHFFFAOYSA-N |
| PubChem CID | 12007 |
| EC No. | 210-440-7 |
| DTXSID | DTXSID3022083 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 94.9 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Optical coefficient |
| 밀도 | 1.151 @ 20 °C1.151 g/mL at 25 °C (lit.) |
| 용해도 | SLIGHTLY SOL IN WATER, ACETONE메탄올 에 용해됨 |
| 끓는 점 | 219 °C @ 732 MM HG223-225 °C (lit.) |
| 녹는점 | 7 °C7 °C (lit.) |
| 굴절률 | INDEX OF REFRACTION: 1.5748 @ 22 °C/Dn20/D 1.575(lit.) |
| Physical Description | Pale yellow liquid[MSDSonline] |
| 인화점 | 211 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 3.09±0.10(Predicted) |
| 색상 | 투명한 노란색에서 연한 갈색까지 |
| BRN | 774514 |
| 안정성 | Acid Sensitive, Light Sensitive |
| InChI | 1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 |
| InChIKey | XGYLSRFSXKAYCR-UHFFFAOYSA-N |
| SMILES | Cc1ccc(N)c(Cl)c1 |
| NIST | Benzenamine, 2-chloro-4-methyl-(615-65-6) |
| EPA | Benzenamine, 2-chloro-4-methyl- (615-65-6) |
화학적 성질
clear yellow to pale brown liquid
안전 및 규제
| GHS 분류 | DangerH302+H312+H332 (86.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | A mutagen and severe skin irritant[RTECS] Emergency treatment: MethemoglobinemiaChlorotoluidines may cause hemorrhagic cystitis[HSDB] An irritantMay induce methemoglobinemia[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (95.6%) |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Human Toxicity Excerpts | THE TOLUIDINES (BOTH O- AND P-) MAY PRODUCE TRANSIENT HEMATURIA AS WELL AS METHEMOGLOBINEMIA AFTER HEAVY EXPOSURES, BUT CHLORO-DERIVATIVES ARE MORE POTENT IN THIS RESPECT, ESPECIALLY 5-CHLORO-O-TOLUIDINE... /TOLUIDINES/THE CYSTITIS RELATED TO THESE ANILINE DERIVATIVES HAS NO RELATIONSHIP TO CARCINOGENIC AMINE-RELATED PROCESSES. /CHLOROTOLUIDINES/...HEMATURIA MAY BE OBSERVED IN MEN HANDLING CHLOROTOLUIDINES. ...MAY BE A HEMORRHAGIC CYSTITIS WITH PAINFUL & FREQUENT MICTURITION. THIS ACUTE PROBLEM... NO LONG TERM SIGNIFICANCE & CLEARS...ON CESSATION... IF...PERSISTS, OTHER PATHOLOGICAL URINARY TRACE PHENOMENA MUST BE CONSIDERED. /CHLOROTOLUIDINES/ |
| Non-Human Toxicity Excerpts | SEVERAL SUBSTITUTED ALKYL- & HALOANILINES WERE TESTED FOR THEIR ABILITY TO MUTATE SALMONELLA TYPHIMURIUM & TO DAMAGE DNA OF MAMMALIAN (CHINESE HAMSTER LUNG V79) CELLS. 4-METHYL-2-CHLOROANILINE WAS A STRONG MUTAGEN. |
| Non-Human Toxicity Values | MUTATION/METABOLIC ACTIVATION SALMONELLA TYPHIMURIUM MUTATION DOSE 1 UMOL/PLATE |
용도
용도
2-Chloro-4-methylaniline is an intermediate used to prepare reverse transcriptase inhibitors of HIV-1.