5-시아노-2-티오펜카르발데히드

5-Formylthiophene-2-Carbonitrile

HCID 12280004CAS 21512-16-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1ccc(C=O)s1
InChIKey: PZIFYWVUYHMYOA-UHFFFAOYSA-N
분자식: C6H3NOS
평균 분자량: 137.16 g/mol
단동위원소 질량: 136.99353489

이름 및 식별자

우선 이름: 5-Formylthiophene-2-Carbonitrile
IUPAC: 5-formylthiophene-2-carbonitrile
현지명: 5-시아노-2-티오펜카르발데히드
영어명: 5-Cyano-2-thiophene carbaldehyde
분자식: C6H3NOS
분자량: 137.16

이름 및 동의어

5-formylthiophene-2-carbonitrile21512-16-3DTXSID90483944RefChem:102690DTXCID90434754687-506-05-Cyanothiophene-2-carboxaldehyde5-Cyano-2-thiophene carbaldehydeMFCD090378045-Cyano-2-thiophenecarboxaldehyde2-formyl-5-cyanothiophen2-cyano-5-formylthiophene

이름 더 보기

5-시아노-2-티오펜카르발데히드5-Cyanothiophene-2-carbaldehyde5-Formyl-2-thiophenecarbonitrile5-Formyl-thiophene-2-carbonitrile5-aldehyde-2-thiophenecarbonitrile5-Cyanothiophene-2-carboxaldehyde 97%5-Cyano-2-thiophene carbaldehyde, 95+%

2-cyano-5-formyl-thiophene5-Cyanothiophene-2-carboxyaldehyde2-Thiophenecarbonitrile, 5-formyl-5-Formyl-2-thiophenecarbonitrile; 5-Cyano-2-thiophenecarboxaldehydeFT-07194262-formyl-5-cyanothiophene5-cyanothiophene-2-aldehyde5-cyano-thiophen-2-aldehyde

데이터베이스 식별자

CAS: 21512-16-3
PubChem CID: 12280004
DTXSID: DTXSID90483944
ChEMBL: CHEMBL2229532
EC Number: 687-506-0
Nikkaji: J1.395.692H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 69.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 90 · 90-95℃
끓는 점: 130 · 130-135 °C(Press: 1.2 Torr)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
색상: 하얀색
수용성: 물에 약간 용해됩니다.
InChI: 1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H
InChIKey: PZIFYWVUYHMYOA-UHFFFAOYSA-N
SMILES: O=Cc1ccc(s1)C#N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesAcute Tox. 4 (97.6%)；Eye Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 3439 6.1/PG III
HS 번호: 2934999090
risk_code: 22-36
hazard_code: Xn,Xi
safety_code: 26
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Cyanothiophene-2-carboxaldehyde is found in caper and may have pest control activity against meloidogyne incognita.

상·하류 제품 정보

상류 원료

2-Thiophenecarbonitrile N,N-다이메틸폼아마이드 물 부틸리튬 시트르산 테트라하이드로푸란 다이아이소프로필아민

공급사50 곳

合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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