1-Benzothiophene-2-carbaldehyde

HCID 736500CAS 3541-37-5

기본 정보

표준 SMILES: O=Cc1cc2ccccc2s1
InChIKey: NXSVNPSWARVMAY-UHFFFAOYSA-N
분자식: C9H6OS
평균 분자량: 162.21 g/mol
단동위원소 질량: 162.01393598

이름 및 식별자

우선 이름: 1-Benzothiophene-2-carbaldehyde
IUPAC: 1-benzothiophene-2-carbaldehyde
영어명: BENZO[B]THIOPHENE-2-CARBOXALDEHYDE
분자식: C9H6OS
분자량: 162.21

이름 및 동의어

1-benzothiophene-2-carbaldehydeRefChem:429639627-681-2Benzo[b]thiophene-2-carboxaldehyde3541-37-5benzo[b]thiophene-2-carbaldehydeMFCD01075041Thianaphthene-2-carboxaldehydeCHEMBL33582022-Formylbenzo[b]thiophene2-benzothiophenecarbaldehyde2-formyl-benzo[b]thiophene

이름 더 보기

BENZOTHIOPHENE-2-CARBALDEHYDE2-FOAKOS BC-0216BUTTPARK 98\04-19RARECHEM AM LA 0005Benzo[b]thiophene-2-carboxaL

SCHEMBL56334SCHEMBL568842-benzothiophenecarboxaldehydebenzo[b]thiophene-2-aldehydeBenzothiophen-2-carboxaldehydebenzo[b]thiophen-2-carbaldehydeSCHEMBL296290312-Benzo[b]thiophenecarboxaldehyde

데이터베이스 식별자

CAS: 3541-37-5
PubChem CID: 736500
DTXSID: DTXSID00353043
ChEMBL: CHEMBL3358202
EC Number: 627-681-2
Nikkaji: J385.773E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 32 · 32-36 °C
끓는 점: 90 °C · 90°C 0,1mm
밀도: 1.3 · 1.300±0.06 g/cm3(Predicted)
인화점: 135 · 135-136°C/8mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
색상: White to Orange to Green
BRN: 114170 · 114170
InChI: 1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChIKey: NXSVNPSWARVMAY-UHFFFAOYSA-N
SMILES: O=Cc1cc2ccccc2s1

화학적 성질

White to light brown solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (100%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25-22
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Preparation of the corresponding vinyl benzyl ether using Julia olefination.

상·하류 제품 정보

상류 원료

하류 제품

1-Benzothiophene-3-carbaldehyde [2-(1-벤조티엔-2-일)에틸]아민염산염 (1-벤조티엔-2-일메틸)메틸아민(SALTDATA:HCl)

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]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

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

연결된 노트

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