Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 71023생성일: 2026년 10월 26일
4-(페닐티오)벤잘데하이드
4-(페닐티오)벤잘데하이드 · AKOS B022078 · ART-CHEM-BB B022078 · 4-(Phenythio)benzaldehde · 4-(PHENYLTHIO)BENZALDEHYDE · p-(phenylthio)benzaldehyde · Benzaldehyde, 4-(phenylthio)- · 4-PHENYLSULFANYL-BENZALDEHYDE
https://huagongshe.com/ko/chemical/71023
식별자 및 물리적 특성
| CAS No. | 1208-88-4 |
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| 분자식 | C13H10OS |
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| 평균 분자량 | 214.28 g/mol |
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| 단동위원소 질량 | 214.04523611 g/mol |
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| SMILES | O=Cc1ccc(Sc2ccccc2)cc1 |
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| InChIKey | VDNBWBPUFMZCEW-UHFFFAOYSA-N |
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| PubChem CID | 71023 |
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| EC No. | 214-905-5 |
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| DTXSID | DTXSID90153019 |
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| 현지명 | 4-(페닐티오)벤잘데하이드 |
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화학 및 물리적 성질
| XLogP | 3.5 |
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| 극성 표면적 | 42.4 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 3 |
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| 무거운 원자 수 | 15 |
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| 형식 전하 | 0 |
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| 복잡도 | 191 |
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| 녹는점 | 53-54 °C |
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| 끓는 점 | 136-138 °C(Press: 0.1 Torr) |
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| 밀도 | 1.20±0.1 g/cm3(Predicted) |
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| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
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| InChI | InChI=1S/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H |
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| InChIKey | VDNBWBPUFMZCEW-UHFFFAOYSA-N |
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| SMILES | C(=O)C1=CC=C(SC2=CC=CC=C2)C=C1 |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| 규제 정보 | Status: Active Update: 30-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19367 |
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| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Irrit. 2 (33.3%)Eye Irrit. 2A (33.3%)STOT SE 3 (33.3%) |
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| 신호 어 | Warning |
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| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H228 |
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