2-히드록시-4-(메틸티오)부티로니트릴

Butanenitrile, 2-hydroxy-4-(methylthio)-

HCID 87302CAS 17773-41-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CSCCC(O)C#N
InChIKey: VWWOJJANXYSACS-UHFFFAOYSA-N
분자식: C5H9NOS
평균 분자량: 131.2 g/mol
단동위원소 질량: 131.04048508

이름 및 식별자

우선 이름: Butanenitrile, 2-hydroxy-4-(methylthio)-
IUPAC: 2-hydroxy-4-methylsulfanylbutanenitrile
현지명: 2-히드록시-4-(메틸티오)부티로니트릴
영어명: 2-hydroxy-4-(methylthio)butyronitrile
분자식: C5H9NOS
분자량: 131.2

이름 및 동의어

17773-41-02-Hydroxy-4-(methylthio)butanenitrileButanenitrile, 2-hydroxy-4-(methylthio)-MHA NitrileMethylthiopropionic cyanohydrinCP 4517EINECS 241-756-32-Hydroxy-4-(methylmercapto)butyronitrileDTXSID80884986EC 241-756-3RefChem:122067DTXCID301024400

이름 더 보기

2-히드록시-4-(메틸티오)부티로니트릴2-Hydroxy-4-(methylmercapto)-butyronitrile

2-Hydroxy-4-(methylthio)butyronitrile2-hydroxy-4-methylsulfanylbutanenitrileMFCD007984482-hydroxy-4-(methylthio) butyronitrile2-HYDROXY-4-(METHYLSULFANYL)BUTANENITRILE2-hydroxy-4-methylthiobutyronitrileSCHEMBL242734Adenosyl Methionine Impurity 11

데이터베이스 식별자

CAS: 17773-41-0
PubChem CID: 87302
DTXSID: DTXSID80884986
EC Number: 241-756-3
Nikkaji: J27.742H

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 69.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 95

물리화학적 성질

끓는 점: 279.6 · 279.6±25.0 °C(Predicted)
밀도: 1.128 · 1.128±0.06 g/cm3(Predicted)
증기압: 0.075 Pa · 0.075Pa at 24.85℃
산도 계수 (pKa): 11.01 · 11.01±0.20(Predicted)
수용성: 110 g/L · 110g/L at 25℃
LogP: -0.62 at · -0.62 at 20℃
EPA: 2 · Butanenitrile, 2-hydroxy-4-(methylthio)- (17773-41-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H300+H330 (100%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]；H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H401 (100%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 06-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10238

Hazard Classes and CategoriesAcute Tox. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 2 (100%)；Aquatic Chronic 2 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 06-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10238

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationButanenitrile, 2-hydroxy-4-(methylthio)-: ACTIVE

공급사32 곳

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

南京望知星医药科技有限公司18569809817 · [email protected]

淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]

河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]

연결된 노트

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