2-Isocyanato-5-methylthiophene

HCID 11629619CAS 76536-99-7

Grundinformationen

Standard-SMILES
Cc1ccc(N=C=O)s1
InChIKey
TYOUGUHTXIYXLR-UHFFFAOYSA-N
Summenformel
C6H5NOS
Durchschnittliche Molmasse
139,18 g/mol
Monoisotopische Masse
139,00918496

Namen und Bezeichner

Bevorzugter Name
2-Isocyanato-5-methylthiophene
IUPAC
2-isocyanato-5-methylthiophene
Englischer Name
5-Methyl-thiphene-2-isocyanate
Summenformel
C6H5NOS
Molmasse
139.18

Namen und Synonyme

2-isocyanato-5-methylthiophene76536-99-7DTXSID80469676RefChem:262301DTXCID304204945-Methylthien-2-yl isocyanate5-Methyl-thiophene-2-isocyanateThiophene,2-isocyanato-5-methyl-MFCD098175472-isocyanato-5-methyl-thiophene5-methylthiophen-2-isocyanateSCHEMBL666729
Weitere Namen anzeigen
5-Methyl-thiphene-2-isocyanate5-methyl-2-thiophene isocyanate5-Methylthien-2-ylisocyanate97%Thiophene, 2-isocyanato-5-methyl-5-Methylthien-2-yl isocyanate 97%
5-methyl-2-thienyl isocyanateTYOUGUHTXIYXLR-UHFFFAOYSA-NBDA53699SBB086099AKOS000171617PS-10314DB-075143EN300-94843

Datenbank-Bezeichner

CAS
76536-99-7
PubChem CID
11629619
DTXSID
DTXSID80469676
EC Number
880-181-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,1
Polarare Oberfläche (TPSA)
57,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
9

Physikochemische Eigenschaften

Aggregatzustand
Liquid
CAS Datenbank
76536 · 76536-99-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

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];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (100%);Resp. Sens. 1 (100%);STOT SE 3 (100%)

Sicherheitsdaten

hs_code
2929100090

Chemie und Industrie

Anwendungen

Verwenden5-Methyl-thiphene-2-isocyanate is used in the preparation of p38 kinase inhibitors.

Anbieter3 Anbieter

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

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