4-(페닐티오)벤잘데하이드

Benzaldehyde, p-phenylthio-

HCID 71023

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1208-88-4
표준 SMILES: O=Cc1ccc(Sc2ccccc2)cc1
InChIKey: VDNBWBPUFMZCEW-UHFFFAOYSA-N
분자식: C13H10OS
평균 분자량: 214.28 g/mol
단동위원소 질량: 214.04523611

이름 및 식별자

우선 이름: Benzaldehyde, p-phenylthio-
IUPAC: 4-phenylsulfanylbenzaldehyde
현지명: 4-(페닐티오)벤잘데하이드
영어명: 4-(PHENYLTHIO)BENZALDEHYDE
분자식: C13H10OS
분자량: 214.28

이름 및 동의어

4-(Phenylthio)benzaldehyde1208-88-4p-(Phenylthio)benzaldehydeBenzaldehyde, p-phenylthio-p-PhenylthiobenzaldehydeBRN 2255322EINECS 214-905-5DTXSID901530194-08-00-00308 (Beilstein Handbook Reference)RefChem:561397DTXCID6075510214-905-5

이름 더 보기

4-(페닐티오)벤잘데하이드AKOS B022078ART-CHEM-BB B022078

4-(phenylsulfanyl)benzaldehyde4-phenylsulfanylbenzaldehyde4-Phenylsulfanyl-benzaldehydeBenzaldehyde, 4-(phenylthio)-MFCD016665784-phenylthiobenzaldehyde4-phenylthio benzaldehyde4-(Phenythio)benzaldehde

데이터베이스 식별자

CAS: 1208-88-4
PubChem CID: 71023
DTXSID: DTXSID90153019
EC Number: 214-905-5
Nikkaji: J148.954B

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 53 · 53-54 °C
끓는 점: 136 · 136-138 °C(Press: 0.1 Torr)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H
InChIKey: VDNBWBPUFMZCEW-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(SC2=CC=CC=C2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (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 exposure; Respiratory 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.