4-(메틸술포닐)페닐라세토니트릴

2-(4-(Methylsulfonyl)phenyl)acetonitrile

HCID 2760950
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
25025-07-4
표준 SMILES
CS(=O)(=O)c1ccc(CC#N)cc1
InChIKey
SFWFEBXQACRQMF-UHFFFAOYSA-N
분자식
C9H9NO2S
평균 분자량
195.24 g/mol
단동위원소 질량
195.0353997

이름 및 식별자

우선 이름
2-(4-(Methylsulfonyl)phenyl)acetonitrile
IUPAC
2-(4-methylsulfonylphenyl)acetonitrile
현지명
4-(메틸술포닐)페닐라세토니트릴
영어명
4-(METHYLSULFONYL)PHENYLACETONITRILE
분자식
C9H9NO2S
분자량
195.24

이름 및 동의어

2-(4-(Methylsulfonyl)phenyl)acetonitrile2-[4-(Methylsulfonyl)phenyl]acetonitrileRefChem:456537674-303-725025-07-44-(Methylsulfonyl) phenylacetonitrile2-(4-methylsulfonylphenyl)acetonitrileBenzeneacetonitrile, 4-(methylsulfonyl)-2-(4-methanesulfonylphenyl)acetonitrile4-(methylsulphonyl)phenylacetonitrileMFCD00079775Benzeneacetonitrile,4-(methylsulfonyl)-
이름 더 보기
4-(메틸술포닐)페닐라세토니트릴4-(Methylsulphonyl)benzyl cyanide(4-methanesulfonyl-phenyl)-acetonitrileEtoricoxib impurity 15/4-(Methylsulphonyl)phenylacetonitrile4-(Methylsulphonyl)benzyl cyanide, 4-(Cyanomethyl)phenyl methyl sulphone
4-(Methylsulfonyl)benzeneacetonitrile4-(methylsulfonyl)phenylacetonitrileEtoricoxib Impurity 101SCHEMBL624611DTXSID50375432SFWFEBXQACRQMF-UHFFFAOYSA-NALBB-037879SBB091893

데이터베이스 식별자

CAS
25025-07-4
PubChem CID
2760950
DTXSID
DTXSID50375432
EC Number
674-303-7

물성

구조 계산 물성

XLogP
1.1
극성 표면적
66.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

녹는점
124 °C · 124 °C
끓는 점
405.3 · 405.3±37.0 °C(Predicted)
밀도
1.24 · 1.240±0.06 g/cm3(Predicted)
저장 조건
Store at room temperature
물리적 상태
고체
색상
회백색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2926907090

화학 및 산업

공급사11 곳

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]

관련 반응

3건
반응 기록 만들기

화합물 노트

불러오는 중…