4-시아노티오펜올

4-Thiobenzonitrile

HCID 585058CAS 36801-01-1

기본 정보

표준 SMILES
N#Cc1ccc(S)cc1
InChIKey
MVPUXVBBHWUOFS-UHFFFAOYSA-N
분자식
C7H5NS
평균 분자량
135.19 g/mol
단동위원소 질량
135.01427034

이름 및 식별자

우선 이름
4-Thiobenzonitrile
IUPAC
4-sulfanylbenzonitrile
현지명
4-시아노티오펜올
영어명
4-CYANOTHIOPHENOL
분자식
C7H5NS
분자량
135.19

이름 및 동의어

4-ThiobenzonitrileRefChem:527013813-133-14-mercaptobenzonitrile36801-01-14-Sulfanylbenzonitrile4-CyanothiophenolMFCD002723544-cyanobenzenethiolBenzonitrile, 4-mercapto-p-cyanothiophenol4-mercapto-benzonitrile
이름 더 보기
4-시아노티오펜올JACS-36801-01-1p-Cyanobenzenethiolp-MercaptobenzonitrileBenzonitrile,4-mercapto-Benzonitrile, 4-mercapto- (9CI)
4-Sulfanylbenzonitrile #SCHEMBL487363SCHEMBL513615DTXSID60342852CS-D0524AKOS000218115FM00411SY128210

데이터베이스 식별자

CAS
36801-01-1
PubChem CID
585058
DTXSID
DTXSID60342852
EC Number
813-133-1
Nikkaji
J786.492B

물성

구조 계산 물성

XLogP
2.1
극성 표면적
24.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

물리화학적 성질

녹는점
51 · 51-52℃
끓는 점
264 ℃ · 264℃
밀도
1.18 · 1.18
인화점
114 ℃ · 114℃
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도
DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): 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, P317, 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 2 reports by companies from 2 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 (100%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (50%);STOT SE 3 (100%)

안전 데이터

HS 번호
2930909899

화학 및 산업

응용 분야

용도4-Mercaptobenzonitrile is a building block used as a reactant in the synthesis and in vitro anti-hepatitis B virus activities of some ethyl 6-bromo-5-hydroxy-1H-indole-3-carboxylates.

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]

관련 반응

39건

연결된 노트

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