5-Chloro-3,4-diazatricyclo(9.4.0.0,2,7)pentadeca-1(15),2(7),3,5,11,13-hexaene

HCID 14126159

Grundinformationen

CAS
25823-53-4
Standard-SMILES
Clc1cc2c(nn1)-c1ccccc1CCC2
InChIKey
PJMKITDIWYPIHU-UHFFFAOYSA-N
Summenformel
C13H11ClN2
Durchschnittliche Molmasse
230,69 g/mol
Monoisotopische Masse
230,0610761

Namen und Bezeichner

Bevorzugter Name
5-Chloro-3,4-diazatricyclo(9.4.0.0,2,7)pentadeca-1(15),2(7),3,5,11,13-hexaene
IUPAC
5-chloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene
Englischer Name
3-Chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazine
Summenformel
C13H11ClN2
Molmasse
230.69

Namen und Synonyme

5-chloro-3,4-diazatricyclo[9.4.0.0,2,7]pentadeca-1(15),2(7),3,5,11,13-hexaene5-Chloro-3,4-diazatricyclo(9.4.0.0,2,7)pentadeca-1(15),2(7),3,5,11,13-hexaeneRefChem:534642829-886-425823-53-43-Chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazineMFCD068013355-chloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene5H-Benzo[6,7]cyclohepta[1,2-c]pyridazine, 3-chloro-6,7-dihydro-SCHEMBL467676DTXSID60556295PJMKITDIWYPIHU-UHFFFAOYSA-N
Weitere Namen anzeigen
EOS-62008CPD3615-B5
ABA82353AKOS012080790EN300-251568G62896Z1013743640

Datenbank-Bezeichner

CAS
25823-53-4
PubChem CID
14126159
DTXSID
DTXSID60556295
EC Number
829-886-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
25,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
16

Physikochemische Eigenschaften

Schmelzpunkt
159 °C · 159 °C(Solv: methanol (67-56-1))
Siedepunkt
465.4 · 465.4±33.0 °C(Predicted)
Dichte
1.266 · 1.266±0.06 g/cm3(Predicted)
pka
1.24 · 1.24±0.20(Predicted)
Aggregatzustand
solid
Farbe
Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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];H335 (50%): 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.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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 (50%);Eye Irrit. 2A (50%);Acute Tox. 4 (50%);STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2933998090
hazard_code
Xi

Chemie und Industrie

Anbieter18 Anbieter

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海喀露蓝科技有限公司15000803246 18149758185 · [email protected]

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