N-(3-formylphenyl)methanesulfonamide

HCID 2794787CAS 55512-05-5

Grundinformationen

Standard-SMILES
CS(=O)(=O)Nc1cccc(C=O)c1
InChIKey
CBDSSTWZEANOCR-UHFFFAOYSA-N
Summenformel
C8H9NO3S
Durchschnittliche Molmasse
199,23 g/mol
Monoisotopische Masse
199,03031432

Namen und Bezeichner

Bevorzugter Name
N-(3-formylphenyl)methanesulfonamide
IUPAC
N-(3-formylphenyl)methanesulfonamide
Englischer Name
N-(3-FORMYLPHENYL)METHANESULFONAMIDE
Summenformel
C8H9NO3S
Molmasse
199.23

Namen und Synonyme

N-(3-formylphenyl)methanesulfonamide55512-05-5DTXSID10383412RefChem:361381DTXCID80334436689-406-23-(Methylsulfonamido)benzaldehydeMFCD03198179N-(3-Formylphenyl)methanesulphonamideMethanesulfonamide, N-(3-formylphenyl)-3-[(methylsulfonyl)amino]benzaldehydeZINC04282446
Weitere Namen anzeigen
N-(3-methanoylphenyl)methanesulfonamideN-(3-Formylphenyl)methanesulphonamide 97%3-[(Methylsulphonyl)amino]benzaldehyde, 3-(Methylsulphonamido)benzaldehyde
N-(3-Formylphenyl)SCHEMBL243260SCHEMBL3052046A3054/0128987CBDSSTWZEANOCR-UHFFFAOYSA-NALBB-025099BBL002157SBB052155

Datenbank-Bezeichner

CAS
55512-05-5
PubChem CID
2794787
DTXSID
DTXSID10383412
EC Number
689-406-2
Nikkaji
J2.401.682J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
71,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
146 °C · 146 °C
Siedepunkt
348.6 · 348.6±44.0 °C(Predicted)
Dichte
1.407 · 1.407±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
Aggregatzustand
powder
pka
7.59 · 7.59±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);Acute Tox. 4 (50%);Resp. Sens. 1 (50%);STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2935909099
risk_code
22
hazard_code
Xi,Xn
hazard_note
Irritant

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter37 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Zugehörige Reaktionen

5

Verknüpfte Notizen

Wird geladen…