2-Hydroxy-1,3-benzothiazole-6-carboxylic acid

HCID 14116709

Grundinformationen

CAS
99615-68-6
Standard-SMILES
O=C(O)c1ccc2[nH]c(=O)sc2c1
InChIKey
USZSGINUZRHINQ-UHFFFAOYSA-N
Summenformel
C8H5NO3S
Durchschnittliche Molmasse
195,2 g/mol
Monoisotopische Masse
194,9990142

Namen und Bezeichner

Bevorzugter Name
2-Hydroxy-1,3-benzothiazole-6-carboxylic acid
IUPAC
2-oxo-3H-1,3-benzothiazole-6-carboxylic acid
Englischer Name
6-Benzothiazolecarboxylicacid,2,3-dihydro-2-oxo-(9CI)
Summenformel
C8H5NO3S
Molmasse
195.2

Namen und Synonyme

2-Hydroxy-1,3-benzothiazole-6-carboxylic acidRefChem:473000867-899-799615-68-62-Hydroxybenzo[d]thiazole-6-carboxylic acid2-OXO-3H-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID6-Benzothiazolecarboxylic acid,2,3-dihydro-2-oxoMFCD084440182-oxo-2,3-dihydro-1,3-benzothiazole-6-carboxylic acid2-Oxo-2,3-dihydrobenzothiazole-6-carboxylic acidSCHEMBL118321SCHEMBL18984451
Weitere Namen anzeigen
6-Benzothiazolecarboxylicacid,2,3-dihydro-2-oxo-2,3-Dihydro-2-oxo-6-benzothiazolecarboxylic acid2-Oxo-2,3-dihydro-benzothiazole-6-carboxylic acid2,3-dihydro-2-oxo-benzothiazole-6-carboxylic acid2,3-dihydro-2-oxo-6-Benzothiazole carbocylic acid2-Oxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid6-Benzothiazolecarboxylicacid,2,3-dihydro-2-oxo-(9CI)
DTXSID50556123USZSGINUZRHINQ-UHFFFAOYSA-NAC9408SBB091851AKOS005072179AKOS015893982DA-09262-hydroxybenzothiazole-6-carboxylic acid

Datenbank-Bezeichner

CAS
99615-68-6
PubChem CID
14116709
DTXSID
DTXSID50556123
EC Number
867-899-7
Nikkaji
J1.276.244E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
91,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
300 ℃ · >300℃
Dichte
1.586 · 1.586±0.06 g/cm3(Predicted)
pka
3.9 · 3.90±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (50%): 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.

Gefahrenhinweise

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

Sicherheitsdaten

hs_code
2934208090

Chemie und Industrie

Anbieter18 Anbieter

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]

Zugehörige Reaktionen

14

Notizen zur Verbindung

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