3-chloro-1H-indole-5-carboxylic acid

HCID 21998723CAS 1224699-05-1
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Grundinformationen

Standard-SMILES
O=C(O)c1ccc2[nH]cc(Cl)c2c1
InChIKey
MZUYNTLMQOTJOQ-UHFFFAOYSA-N
Summenformel
C9H6ClNO2
Durchschnittliche Molmasse
195,6 g/mol
Monoisotopische Masse
195,0087061

Namen und Bezeichner

Bevorzugter Name
3-chloro-1H-indole-5-carboxylic acid
IUPAC
3-chloro-1H-indole-5-carboxylic acid
Englischer Name
3-chloro-1H-indole-5-carboxylic acid
Summenformel
C9H6ClNO2
Molmasse
195.6

Namen und Synonyme

3-chloro-1H-indole-5-carboxylic acid1224699-05-1RefChem:499656891-280-0MFCD20641935SCHEMBL26717443-chloro-5-indolecarboxylic acid3-Chloroindole-5-carboxylic AcidMZUYNTLMQOTJOQ-UHFFFAOYSA-NSY294238DB-105437CS-0338532
Weitere Namen anzeigen
1H-Indole-5-carboxylic acid, 3-chloro-
EN300-2795735

Datenbank-Bezeichner

CAS
1224699-05-1
PubChem CID
21998723
EC Number
891-280-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
53,1 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
13

Physikochemische Eigenschaften

Siedepunkt
449.7 · 449.7±25.0 °C(Predicted)
Dichte
1.548 · 1.548±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
4.19 · 4.19±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Chemie und Industrie

Anbieter6 Anbieter

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]

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