4-(Methylthio)benzaldehyde (HCID 76985)

이름 및 식별자

우선 이름: 4-(Methylthio)benzaldehyde
IUPAC: 4-methylsulfanylbenzaldehyde
현지명: 4-(메틸티오)벤즈알데히드
영어명: 4-(Methylthio)benzaldehyde
분자식: C8H8OS
분자량: 152.21

이름 및 동의어

4-(Methylthio)benzaldehyde4-methylsulfanylbenzaldehydeBenzaldehyde, 4-(methylthio)-p-Methylthiobenzaldehyde4-(Methylmercapto)benzaldehydeUNII-1TVQ11BIY81TVQ11BIY8DTXSID0033047p-MethylmercaptobenzaldehydeEINECS 222-365-74-methanethiobenzaldehydeDTXCID8013047

이름 더 보기

4-(메틸티오)벤즈알데히드MTAD4-ALDEHYDE THIOANISOLEP-(METHYLTHIO)BENZALDEHYDE4-(Methylsulfanyl)benzaldehydethio)benzaLAKOS BBS-000031734-Thioanisaldehyde4-Formylthioanisole

QRVYABWJVXXOTN-UHFFFAOYSA-4-METHANESULFANYLBENZALDEHYDEBENZALDEHYDE, P-(METHYLTHIO)-METHYL 4-FORMYLPHENYL THIOETHERRefChem:97509222-365-7InChI=1/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3QRVYABWJVXXOTN-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 3446-89-7
PubChem CID: 76985
DTXSID: DTXSID0033047
ChEMBL: CHEMBL1556223
UNII: 1TVQ11BIY8
EC Number: 222-365-7
Nikkaji: J208.714F

물성

구조 계산 물성

XLogP: 2
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 106

물리화학적 성질

녹는점: 6 °C · 6 °C
끓는 점: 86 · 86-90 °C1 mm Hg(lit.)
밀도: 1.144 g/mL · 1.144 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.646(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.144 · 1.144
색상: 맑은 노란색
수용성: 물과 섞이지 않습니다.
BRN: 636158 · 636158
InChI: 1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey: QRVYABWJVXXOTN-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(SC)cc1
LogP: 2.24 at · 2.24 at 30℃
NIST: 4 · Benzaldehyde, 4-(methylthio)-(3446-89-7)
EPA: 4 · Benzaldehyde, 4-(methylthio)- (3446-89-7)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 13-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19019

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3334
HS 번호: 29309070
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25-36-26-7/9
F 고인화성물질: 13
위험 참고 사항: Irritant/Stench
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 4-(methylthio)-: ACTIVE

응용 분야 · 1건

용도4-(Methylthio)benzaldehyde is a building block for the synthesis of various pharmaceutical and biologically active compounds. It can be used for the synthesis of sulfur-containing terpyridine ligands. It is the intermediate for the synthesis of a class of pyrrole derivatives showing analgesic/anti-inflammatory activity.

상·하류 제품 정보

상류 원료

하류 제품

4-(메틸티오)벤질아민 술린다크 4-메틸설포닐페닐아세트산 1-[4-(메틸설파닐)페닐]-1,4-펜탄디온 1,3-DIMETHYL-5-([4-(METHYLSULFANYL)PHENYL]METHYLENE)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

연결된 노트

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4-(메틸티오)벤즈알데히드

기본 정보